# systems

unique_id: a3a7bf21e8d3607024a1edaa08596676
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Fe", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.256412014669795, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.68, "CB_dir": 6.256412014669795, "gllbsc_dir_gap": 0.0, "standard_energy": -5.8843213010511, "B_ion": "Nb", "VB_dir": 6.256412014669795, "VB_ind": 6.256412014669795}


unique_id: 10f5cf0e34fe97f2ce87c3322b6347a6
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Mg", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.298976567084222, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.22, "CB_dir": 6.298976567084222, "gllbsc_dir_gap": 0.0, "standard_energy": -5.294470237683656, "B_ion": "Cu", "VB_dir": 6.298976567084222, "VB_ind": 6.298976567084222}


unique_id: 790cd42603ea4c65a389be36a2cb63d1
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Nb", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.206304163978978, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.2, "CB_dir": 6.206304163978978, "gllbsc_dir_gap": 0.0, "standard_energy": -3.1204290777056123, "B_ion": "Mo", "VB_dir": 6.206304163978978, "VB_ind": 6.206304163978978}


unique_id: e51337c1f4a88b813e6b6caf5e11ee17
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Si", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.255764665685663, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.94, "CB_dir": 6.255764665685663, "gllbsc_dir_gap": 0.0, "standard_energy": -9.268470664026198, "B_ion": "Hf", "VB_dir": 6.255764665685663, "VB_ind": 6.255764665685663}


unique_id: e8236e70d5203f5c58c735673a9e8b9c
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Si", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.552744250452505, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.5, "CB_dir": 6.552744250452505, "gllbsc_dir_gap": 0.0, "standard_energy": -3.3692701384145263, "B_ion": "Sn", "VB_dir": 6.552744250452505, "VB_ind": 6.552744250452505}


unique_id: 56a6621663bccdec6b625d632559abcf
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Cs", "anion": "O2F", "combination": "ABO2F", "CB_ind": 5.501864378144655, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.62, "CB_dir": 5.501864378144655, "gllbsc_dir_gap": 0.0, "standard_energy": -7.795074580200021, "B_ion": "Mo", "VB_dir": 5.501864378144655, "VB_ind": 5.501864378144655}


unique_id: 5df394f55ced30130aa70bda5c7e9d3b
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Cs", "anion": "O2F", "combination": "ABO2F", "CB_ind": 5.0010365955151626, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.16, "CB_dir": 5.0010365955151626, "gllbsc_dir_gap": 0.0, "standard_energy": -2.44279548467372, "B_ion": "K", "VB_dir": 5.0010365955151626, "VB_ind": 5.0010365955151626}


unique_id: e266a6835e8bd0a211a184ae2661dc2c
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "K", "anion": "O2F", "combination": "ABO2F", "CB_ind": 5.757738741889593, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.3, "CB_dir": 5.757738741889593, "gllbsc_dir_gap": 0.0, "standard_energy": -4.61318435357995, "B_ion": "Cd", "VB_dir": 5.757738741889593, "VB_ind": 5.757738741889593}


unique_id: fcdd6b3746d91e6c3bbcac58bba022e8
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "As", "anion": "O2F", "combination": "ABO2F", "CB_ind": 5.760929170282096, "gllbsc_ind_gap": 1.1, "heat_of_formation_all": 0.86, "CB_dir": 5.310929170282096, "gllbsc_dir_gap": 2.0, "standard_energy": -4.15590719855755, "B_ion": "Ga", "VB_dir": 7.310929170282096, "VB_ind": 6.860929170282096}


unique_id: 708067d261f6316d9dc4db81a63bdd84
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Sc", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.1326469713069365, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.08, "CB_dir": 6.1326469713069365, "gllbsc_dir_gap": 0.0, "standard_energy": -7.9300624320918605, "B_ion": "Ni", "VB_dir": 6.1326469713069365, "VB_ind": 6.1326469713069365}


unique_id: 53ced4a6a7dcd71a0997d2db95a3e370
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "As", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.475653270487719, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.8, "CB_dir": 6.475653270487719, "gllbsc_dir_gap": 0.0, "standard_energy": -8.780926060682381, "B_ion": "Zr", "VB_dir": 6.475653270487719, "VB_ind": 6.475653270487719}


unique_id: 1f57b1426b33e2dddc50888a6728e6cd
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "W", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.010354114614692, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.9, "CB_dir": 6.010354114614692, "gllbsc_dir_gap": 0.0, "standard_energy": -3.432043619817061, "B_ion": "La", "VB_dir": 6.010354114614692, "VB_ind": 6.010354114614692}


unique_id: f5bea7972efbd621ef71bf24d4b6c52f
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Hf", "anion": "O2F", "combination": "ABO2F", "CB_ind": 5.4275293878905, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 3.52, "CB_dir": 5.4275293878905, "gllbsc_dir_gap": 0.0, "standard_energy": 1.3638078305819756, "B_ion": "Rb", "VB_dir": 5.4275293878905, "VB_ind": 5.4275293878905}


unique_id: 59627a8fe1aa179bc34e8d165e8e2739
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ag", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.785770998630082, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.72, "CB_dir": 6.785770998630082, "gllbsc_dir_gap": 0.0, "standard_energy": -3.803287666210199, "B_ion": "Te", "VB_dir": 6.785770998630082, "VB_ind": 6.785770998630082}


unique_id: 1b8f17cf7760f7bef82408863f1c78cb
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Si", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.582942508264799, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.54, "CB_dir": 6.582942508264799, "gllbsc_dir_gap": 0.0, "standard_energy": -3.086696579825599, "B_ion": "W", "VB_dir": 6.582942508264799, "VB_ind": 6.582942508264799}


unique_id: 82718fb7d81a57ec60dc12f6ee5e9dbb
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Bi", "anion": "O2F", "combination": "ABO2F", "CB_ind": 5.998000483355112, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.48, "CB_dir": 5.998000483355112, "gllbsc_dir_gap": 0.0, "standard_energy": -6.02708491129175, "B_ion": "Ga", "VB_dir": 5.998000483355112, "VB_ind": 5.998000483355112}


unique_id: fb189e7e1e8a5b55e1dc1ca7a328d536
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Be", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.621218010048571, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.56, "CB_dir": 6.621218010048571, "gllbsc_dir_gap": 0.0, "standard_energy": -3.174778430149079, "B_ion": "W", "VB_dir": 6.621218010048571, "VB_ind": 6.621218010048571}


unique_id: dbf95ccbd69ae870e52a7618c97e8437
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Os", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.869499276485078, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.6, "CB_dir": 6.869499276485078, "gllbsc_dir_gap": 0.0, "standard_energy": 0.8043864234898432, "B_ion": "As", "VB_dir": 6.869499276485078, "VB_ind": 6.869499276485078}


unique_id: 54832999cf86fc8f9d0f3eaf03f40208
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Mo", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.240069434098759, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.36, "CB_dir": 6.240069434098759, "gllbsc_dir_gap": 0.0, "standard_energy": -1.0958916573766793, "B_ion": "Bi", "VB_dir": 6.240069434098759, "VB_ind": 6.240069434098759}


unique_id: 9737cfd586e051ebb2637d31822be45a
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Zr", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.239056928863857, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.7, "CB_dir": 6.239056928863857, "gllbsc_dir_gap": 0.0, "standard_energy": -4.3106188781954495, "B_ion": "W", "VB_dir": 6.239056928863857, "VB_ind": 6.239056928863857}


unique_id: c1ccddec731f793063a28ff2cec7bc3d
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ge", "anion": "O2F", "combination": "ABO2F", "CB_ind": 4.987411441743118, "gllbsc_ind_gap": 2.4, "heat_of_formation_all": 0.58, "CB_dir": 4.587411441743118, "gllbsc_dir_gap": 3.2, "standard_energy": -10.337344992640803, "B_ion": "Sc", "VB_dir": 7.787411441743119, "VB_ind": 7.387411441743119}


unique_id: 19691fc49ff24acf072139a1f820de11
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ca", "anion": "O2F", "combination": "ABO2F", "CB_ind": 5.615473261534149, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.56, "CB_dir": 5.615473261534149, "gllbsc_dir_gap": 0.0, "standard_energy": -9.628011539269862, "B_ion": "Sn", "VB_dir": 5.615473261534149, "VB_ind": 5.615473261534149}


unique_id: 2b982775f88db81d4dcdcd0cfdc101cc
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Zn", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.023952339899846, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.06, "CB_dir": 6.023952339899846, "gllbsc_dir_gap": 0.0, "standard_energy": -8.180435750606755, "B_ion": "La", "VB_dir": 6.023952339899846, "VB_ind": 6.023952339899846}


unique_id: ab1d8e07eb65dff626dc501f4a26f340
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Cu", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.473772453071747, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.24, "CB_dir": 6.473772453071747, "gllbsc_dir_gap": 0.0, "standard_energy": -0.8116712715767989, "B_ion": "Rh", "VB_dir": 6.473772453071747, "VB_ind": 6.473772453071747}


unique_id: adc991f1b9527faf220453f43c0ff698
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ti", "anion": "O2F", "combination": "ABO2F", "CB_ind": 5.721175293693632, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.46, "CB_dir": 5.721175293693632, "gllbsc_dir_gap": 0.0, "standard_energy": -7.075017071180523, "B_ion": "Li", "VB_dir": 5.721175293693632, "VB_ind": 5.721175293693632}


unique_id: c91569c6ffbdf3faabc944b8a20eb453
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Mo", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.293793886348819, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.52, "CB_dir": 6.293793886348819, "gllbsc_dir_gap": 0.0, "standard_energy": -2.432222724208577, "B_ion": "B", "VB_dir": 6.293793886348819, "VB_ind": 6.293793886348819}


unique_id: e6752531485a3bb4b9d9874a5c7252df
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ru", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.567532119926826, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.14, "CB_dir": 6.567532119926826, "gllbsc_dir_gap": 0.0, "standard_energy": -1.9942271693627145, "B_ion": "Ge", "VB_dir": 6.567532119926826, "VB_ind": 6.567532119926826}


unique_id: 472a6e537af8ea25d311c381fe9ea364
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Te", "anion": "O2F", "combination": "ABO2F", "CB_ind": 5.785336232933748, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.82, "CB_dir": 5.785336232933748, "gllbsc_dir_gap": 0.0, "standard_energy": -3.5217667267589565, "B_ion": "Sr", "VB_dir": 5.785336232933748, "VB_ind": 5.785336232933748}


unique_id: 6ac4189ae0bf9d54dc1746cb935e0682
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Sb", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.631504778482122, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.0, "CB_dir": 6.631504778482122, "gllbsc_dir_gap": 0.0, "standard_energy": -2.9130380034758847, "B_ion": "Cu", "VB_dir": 6.631504778482122, "VB_ind": 6.631504778482122}


unique_id: d0d17834a9b93fe4495cc7c9be0a6285
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Au", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.8098412861683935, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.32, "CB_dir": 6.8098412861683935, "gllbsc_dir_gap": 0.0, "standard_energy": -0.21359896952234436, "B_ion": "Rh", "VB_dir": 6.8098412861683935, "VB_ind": 6.8098412861683935}


unique_id: 9230491cd8dfeff312dabcf75276ed04
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Fe", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.665424477016887, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.26, "CB_dir": 6.665424477016887, "gllbsc_dir_gap": 0.0, "standard_energy": -1.60148101438444, "B_ion": "Te", "VB_dir": 6.665424477016887, "VB_ind": 6.665424477016887}


unique_id: 45c8946cdd27bb6180bb535dfb0a88fe
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "K", "anion": "O2F", "combination": "ABO2F", "CB_ind": 5.56900314466342, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.34, "CB_dir": 5.56900314466342, "gllbsc_dir_gap": 0.0, "standard_energy": -7.684578952351716, "B_ion": "Mg", "VB_dir": 5.56900314466342, "VB_ind": 5.56900314466342}


unique_id: fa8852a3a7cc33d4738a788b79372187
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ga", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.052458540039215, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.16, "CB_dir": 6.052458540039215, "gllbsc_dir_gap": 0.0, "standard_energy": -2.7183778815037414, "B_ion": "Rh", "VB_dir": 6.052458540039215, "VB_ind": 6.052458540039215}


unique_id: 51dfa7598c4e57024b5f7125b03f1eff
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Sc", "anion": "O2F", "combination": "ABO2F", "CB_ind": 5.333916991090625, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 3.14, "CB_dir": 5.333916991090625, "gllbsc_dir_gap": 0.0, "standard_energy": -0.609207107866343, "B_ion": "Cs", "VB_dir": 5.333916991090625, "VB_ind": 5.333916991090625}


unique_id: 7763ec18f999affe9ba2d7e98a2ffe6e
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Cu", "anion": "O2F", "combination": "ABO2F", "CB_ind": 5.732009620846054, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.72, "CB_dir": 5.732009620846054, "gllbsc_dir_gap": 0.0, "standard_energy": 3.576010751821728, "B_ion": "Rb", "VB_dir": 5.732009620846054, "VB_ind": 5.732009620846054}


unique_id: 1748fa15043d0db027afe6712b60037e
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Y", "anion": "O2F", "combination": "ABO2F", "CB_ind": 5.961811923195917, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.06, "CB_dir": 5.961811923195917, "gllbsc_dir_gap": 0.0, "standard_energy": -9.332462936756142, "B_ion": "Nb", "VB_dir": 5.961811923195917, "VB_ind": 5.961811923195917}


unique_id: cf62695c5f8eb5d15cea8825a4c87af0
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Mg", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.524130527510095, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.42, "CB_dir": 6.524130527510095, "gllbsc_dir_gap": 0.0, "standard_energy": -4.284644441182806, "B_ion": "Ir", "VB_dir": 6.524130527510095, "VB_ind": 6.524130527510095}


unique_id: 5add8fd8a6b8038d8ab2d677c3122fa3
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Mo", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.354239215988125, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.52, "CB_dir": 6.354239215988125, "gllbsc_dir_gap": 0.0, "standard_energy": -0.15165974983201735, "B_ion": "Ru", "VB_dir": 6.354239215988125, "VB_ind": 6.354239215988125}


unique_id: 337644fcf41b1242012019e9c1c8075c
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Sn", "anion": "O2F", "combination": "ABO2F", "CB_ind": 5.6851902031649315, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.18, "CB_dir": 5.6851902031649315, "gllbsc_dir_gap": 0.0, "standard_energy": -0.13317898533841044, "B_ion": "Rb", "VB_dir": 5.6851902031649315, "VB_ind": 5.6851902031649315}


unique_id: bdd61921319ba5fa6321d8662f75588b
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Li", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.019957673030066, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.46, "CB_dir": 6.019957673030066, "gllbsc_dir_gap": 0.0, "standard_energy": -3.257483767452948, "B_ion": "Pd", "VB_dir": 6.019957673030066, "VB_ind": 6.019957673030066}


unique_id: 6cbf4bf20a05735f431d52a0d4244d96
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Rb", "anion": "O2F", "combination": "ABO2F", "CB_ind": 5.724312176385452, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.34, "CB_dir": 5.724312176385452, "gllbsc_dir_gap": 0.0, "standard_energy": -4.7482629958761615, "B_ion": "Zn", "VB_dir": 5.724312176385452, "VB_ind": 5.724312176385452}


unique_id: 478113f8abfc4e198240143053bce6f6
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Pd", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.391243223977222, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.98, "CB_dir": 6.391243223977222, "gllbsc_dir_gap": 0.0, "standard_energy": -3.0375735172232057, "B_ion": "Fe", "VB_dir": 6.391243223977222, "VB_ind": 6.391243223977222}


unique_id: a13d43cb14100528f49bd7c0161b4abf
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ge", "anion": "O2F", "combination": "ABO2F", "CB_ind": 5.762393000013674, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.52, "CB_dir": 5.762393000013674, "gllbsc_dir_gap": 0.0, "standard_energy": 1.8912770923202262, "B_ion": "Rb", "VB_dir": 5.762393000013674, "VB_ind": 5.762393000013674}


unique_id: 860f7b2de2290b70408959b83a986daf
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Sr", "anion": "O2F", "combination": "ABO2F", "CB_ind": 5.534834901085676, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.72, "CB_dir": 5.534834901085676, "gllbsc_dir_gap": 0.0, "standard_energy": -9.096738223944072, "B_ion": "Ni", "VB_dir": 5.534834901085676, "VB_ind": 5.534834901085676}


unique_id: a18c98bc2a9e7a23645bc9dd97cffe8e
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Bi", "anion": "O2F", "combination": "ABO2F", "CB_ind": 5.634036707722423, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.28, "CB_dir": 5.634036707722423, "gllbsc_dir_gap": 0.0, "standard_energy": 0.42867555162030513, "B_ion": "Rb", "VB_dir": 5.634036707722423, "VB_ind": 5.634036707722423}


unique_id: de0259d4a20d1bc81537e08f8c135e47
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Si", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.552744250452505, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.02, "CB_dir": 6.552744250452505, "gllbsc_dir_gap": 0.0, "standard_energy": -0.7341713765104956, "B_ion": "Rh", "VB_dir": 6.552744250452505, "VB_ind": 6.552744250452505}


unique_id: 36f6dafb7cc6ec4885bcd94dca92a187
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ba", "anion": "O2F", "combination": "ABO2F", "CB_ind": 5.996175163332442, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.74, "CB_dir": 5.996175163332442, "gllbsc_dir_gap": 0.0, "standard_energy": -10.854089873798612, "B_ion": "Be", "VB_dir": 5.996175163332442, "VB_ind": 5.996175163332442}


unique_id: ecc61812df2929f065c28fcd96587ad5
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ca", "anion": "O2F", "combination": "ABO2F", "CB_ind": 5.761750449484758, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.22, "CB_dir": 5.761750449484758, "gllbsc_dir_gap": 0.0, "standard_energy": -6.343210968860957, "B_ion": "Os", "VB_dir": 5.761750449484758, "VB_ind": 5.761750449484758}


unique_id: 237c95f803e6575e053cb8b12dee9324
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Y", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.04867101608311, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.86, "CB_dir": 6.04867101608311, "gllbsc_dir_gap": 0.0, "standard_energy": -9.386639342378826, "B_ion": "Co", "VB_dir": 6.04867101608311, "VB_ind": 6.04867101608311}


unique_id: f2628301e438a2361e2f268a14a4b687
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "K", "anion": "O2F", "combination": "ABO2F", "CB_ind": 5.8012659558355, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.54, "CB_dir": 5.8012659558355, "gllbsc_dir_gap": 0.0, "standard_energy": -7.9362905463928985, "B_ion": "Ge", "VB_dir": 5.8012659558355, "VB_ind": 5.8012659558355}


unique_id: b6fda7e74107eec97d6ea5c1e26c27c5
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Re", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.361031499762512, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.44, "CB_dir": 6.361031499762512, "gllbsc_dir_gap": 0.0, "standard_energy": -0.3116733413360393, "B_ion": "W", "VB_dir": 6.361031499762512, "VB_ind": 6.361031499762512}


unique_id: 5cc0bbfc847dddf422210efc91c13367
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Cu", "anion": "O2F", "combination": "ABO2F", "CB_ind": 5.889666422090165, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.88, "CB_dir": 5.889666422090165, "gllbsc_dir_gap": 0.0, "standard_energy": -2.5379622710017005, "B_ion": "Ba", "VB_dir": 5.889666422090165, "VB_ind": 5.889666422090165}


unique_id: 9f547d713f407c2cf7d374055688d427
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Sb", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.160682436394552, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.76, "CB_dir": 6.160682436394552, "gllbsc_dir_gap": 0.0, "standard_energy": -4.542367889418765, "B_ion": "In", "VB_dir": 6.160682436394552, "VB_ind": 6.160682436394552}


unique_id: 1042f69d5a035f8203e8b7d3cde37e77
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ca", "anion": "O2F", "combination": "ABO2F", "CB_ind": 5.730784308715921, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.94, "CB_dir": 5.730784308715921, "gllbsc_dir_gap": 0.0, "standard_energy": -10.727309150553106, "B_ion": "Si", "VB_dir": 5.730784308715921, "VB_ind": 5.730784308715921}


unique_id: 61411a7fcebb9175a79bfaf9a99a0aa4
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Cu", "anion": "O2F", "combination": "ABO2F", "CB_ind": 4.894803830148436, "gllbsc_ind_gap": 2.6, "heat_of_formation_all": 0.2, "CB_dir": 4.844803830148436, "gllbsc_dir_gap": 2.7, "standard_energy": -9.84449179610165, "B_ion": "Ti", "VB_dir": 7.544803830148435, "VB_ind": 7.494803830148435}


unique_id: 7979c66a38871bf5bec4332724db511d
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Na", "anion": "O2F", "combination": "ABO2F", "CB_ind": 5.994164740824867, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.44, "CB_dir": 5.994164740824867, "gllbsc_dir_gap": 0.0, "standard_energy": -8.272982548755751, "B_ion": "Ge", "VB_dir": 5.994164740824867, "VB_ind": 5.994164740824867}


unique_id: 2e3879ceed20081c03a3e3948786764c
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Co", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.417905025151208, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.34, "CB_dir": 6.417905025151208, "gllbsc_dir_gap": 0.0, "standard_energy": -3.391146145173126, "B_ion": "B", "VB_dir": 6.417905025151208, "VB_ind": 6.417905025151208}


unique_id: 637796d100706abb000a019203d90ce5
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Hg", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.484116735178029, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.58, "CB_dir": 6.484116735178029, "gllbsc_dir_gap": 0.0, "standard_energy": -5.9419781365971165, "B_ion": "Cr", "VB_dir": 6.484116735178029, "VB_ind": 6.484116735178029}


unique_id: 16877e98883ec7bfea2c3ac6ceec7277
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ni", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.73607514110086, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.58, "CB_dir": 6.73607514110086, "gllbsc_dir_gap": 0.0, "standard_energy": 0.5393055945317542, "B_ion": "Ir", "VB_dir": 6.73607514110086, "VB_ind": 6.73607514110086}


unique_id: 513d27700967ec8f5fa1dac066e4df92
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Cs", "anion": "O2F", "combination": "ABO2F", "CB_ind": 5.758855419324238, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.88, "CB_dir": 5.758855419324238, "gllbsc_dir_gap": 0.0, "standard_energy": -4.674600552787025, "B_ion": "Be", "VB_dir": 5.758855419324238, "VB_ind": 5.758855419324238}


unique_id: 532f69b32a8cf61456c08f0a876931cb
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Sr", "anion": "O2F", "combination": "ABO2F", "CB_ind": 4.356879759655872, "gllbsc_ind_gap": 2.3, "heat_of_formation_all": 0.92, "CB_dir": 4.056879759655871, "gllbsc_dir_gap": 2.9, "standard_energy": -10.143475434764794, "B_ion": "B", "VB_dir": 6.956879759655871, "VB_ind": 6.656879759655871}


unique_id: 9aa1f09e64e3cf251872c73540033c75
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Hf", "anion": "O2F", "combination": "ABO2F", "CB_ind": 5.356089619730217, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.46, "CB_dir": 5.356089619730217, "gllbsc_dir_gap": 0.0, "standard_energy": -3.989387715047238, "B_ion": "Cs", "VB_dir": 5.356089619730217, "VB_ind": 5.356089619730217}


unique_id: 74c4e484c1ad2cb877594eac0c7848cf
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Bi", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.106908223781049, "gllbsc_ind_gap": 0.6, "heat_of_formation_all": 0.64, "CB_dir": 5.706908223781048, "gllbsc_dir_gap": 1.4, "standard_energy": -5.302031910980807, "B_ion": "Zn", "VB_dir": 7.106908223781049, "VB_ind": 6.706908223781048}


unique_id: 4e655396a6a879083c1324897a67d72e
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Zr", "anion": "O2F", "combination": "ABO2F", "CB_ind": 5.182847135099994, "gllbsc_ind_gap": 1.2, "heat_of_formation_all": 1.16, "CB_dir": 4.932847135099994, "gllbsc_dir_gap": 1.7, "standard_energy": -10.062056029432785, "B_ion": "Li", "VB_dir": 6.632847135099993, "VB_ind": 6.382847135099993}


unique_id: cf4922f2dda3941a664e5c32ef6350e3
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Fe", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.3768158911717805, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.92, "CB_dir": 6.3768158911717805, "gllbsc_dir_gap": 0.0, "standard_energy": -3.3494961395993403, "B_ion": "W", "VB_dir": 6.3768158911717805, "VB_ind": 6.3768158911717805}


unique_id: 5c4232ccc05415e66d610964b71f2ef2
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Pd", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.633487428257426, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.16, "CB_dir": 6.633487428257426, "gllbsc_dir_gap": 0.0, "standard_energy": -0.8409153159435396, "B_ion": "Os", "VB_dir": 6.633487428257426, "VB_ind": 6.633487428257426}


unique_id: 499c021f0c47918afca2fc8caad06a76
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Zr", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.253172586621741, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.9, "CB_dir": 6.253172586621741, "gllbsc_dir_gap": 0.0, "standard_energy": -3.2802195870815423, "B_ion": "Pd", "VB_dir": 6.253172586621741, "VB_ind": 6.253172586621741}


unique_id: b2b67c6bb867274fc44453a0a406d3a9
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Rh", "anion": "O2F", "combination": "ABO2F", "CB_ind": 5.9138567363616685, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.58, "CB_dir": 5.9138567363616685, "gllbsc_dir_gap": 0.0, "standard_energy": 2.674179203823245, "B_ion": "Na", "VB_dir": 5.9138567363616685, "VB_ind": 5.9138567363616685}


unique_id: 673a4d9e69861db0b536f045e119efd8
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Na", "anion": "O2F", "combination": "ABO2F", "CB_ind": 5.941110687311653, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.0, "CB_dir": 5.941110687311653, "gllbsc_dir_gap": 0.0, "standard_energy": -5.274804275073585, "B_ion": "Ni", "VB_dir": 5.941110687311653, "VB_ind": 5.941110687311653}


unique_id: 22dd6b35ae697ed8b21b9568301916e1
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ag", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.462170635734538, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.02, "CB_dir": 6.462170635734538, "gllbsc_dir_gap": 0.0, "standard_energy": -1.7030663236205377, "B_ion": "Rh", "VB_dir": 6.462170635734538, "VB_ind": 6.462170635734538}


unique_id: 8f4c1213e81283fbdb1878023cbacf75
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Pb", "anion": "O2F", "combination": "ABO2F", "CB_ind": 5.064074042082673, "gllbsc_ind_gap": 1.6, "heat_of_formation_all": 0.54, "CB_dir": 5.064074042082673, "gllbsc_dir_gap": 1.6, "standard_energy": -10.230479567506947, "B_ion": "La", "VB_dir": 6.664074042082673, "VB_ind": 6.664074042082673}


unique_id: e2b3fc6d2a281220586a2782b63714f7
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ni", "anion": "O2F", "combination": "ABO2F", "CB_ind": 5.941110687311653, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.56, "CB_dir": 5.941110687311653, "gllbsc_dir_gap": 0.0, "standard_energy": 2.5217382123388647, "B_ion": "Na", "VB_dir": 5.941110687311653, "VB_ind": 5.941110687311653}


unique_id: 38330b1844186cf5218f83e77fb170df
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Re", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.375423120909991, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.74, "CB_dir": 6.375423120909991, "gllbsc_dir_gap": 0.0, "standard_energy": 0.3156289461401727, "B_ion": "Zn", "VB_dir": 6.375423120909991, "VB_ind": 6.375423120909991}


unique_id: d4fe3f5bddb5b2172ef353510910978b
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "W", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.172519785402688, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.26, "CB_dir": 6.172519785402688, "gllbsc_dir_gap": 0.0, "standard_energy": -5.063699666972915, "B_ion": "Ti", "VB_dir": 6.172519785402688, "VB_ind": 6.172519785402688}


unique_id: 90b389fba04a3385842428f52a3ebc55
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Te", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.797953789840033, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.24, "CB_dir": 6.797953789840033, "gllbsc_dir_gap": 0.0, "standard_energy": -1.2389029819500568, "B_ion": "Cu", "VB_dir": 6.797953789840033, "VB_ind": 6.797953789840033}


unique_id: 97e1cce5f3bae68f9a0513ea6e1ea4f7
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Sc", "anion": "O2F", "combination": "ABO2F", "CB_ind": 5.405061019716662, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.96, "CB_dir": 5.405061019716662, "gllbsc_dir_gap": 0.0, "standard_energy": -1.5160061811572096, "B_ion": "Rb", "VB_dir": 5.405061019716662, "VB_ind": 5.405061019716662}


unique_id: a6709600eb5c3ca8d2d0e75d3aa063ae
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Al", "anion": "O2F", "combination": "ABO2F", "CB_ind": 5.844799840507178, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.06, "CB_dir": 5.844799840507178, "gllbsc_dir_gap": 0.0, "standard_energy": -7.296044754222084, "B_ion": "V", "VB_dir": 5.844799840507178, "VB_ind": 5.844799840507178}


unique_id: 35b1060a95007c4796c8b5bf315e10dc
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Al", "anion": "O2F", "combination": "ABO2F", "CB_ind": 5.936070676451861, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.72, "CB_dir": 5.936070676451861, "gllbsc_dir_gap": 0.0, "standard_energy": -3.0178175908059277, "B_ion": "Pb", "VB_dir": 5.936070676451861, "VB_ind": 5.936070676451861}


unique_id: 85db625e77650f9f8f24f118aea80e90
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Te", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.3595093731045855, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.94, "CB_dir": 6.3595093731045855, "gllbsc_dir_gap": 0.0, "standard_energy": -6.978356063708903, "B_ion": "Al", "VB_dir": 6.3595093731045855, "VB_ind": 6.3595093731045855}


unique_id: 719deb52f6e383f036e0cc8df1d962b8
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Sr", "anion": "O2F", "combination": "ABO2F", "CB_ind": 5.802099530976728, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.16, "CB_dir": 5.802099530976728, "gllbsc_dir_gap": 0.0, "standard_energy": -6.846784225817151, "B_ion": "Pt", "VB_dir": 5.802099530976728, "VB_ind": 5.802099530976728}


unique_id: 20951c810d8deaf6d249281060974903
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ti", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.270372564828923, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.26, "CB_dir": 6.270372564828923, "gllbsc_dir_gap": 0.0, "standard_energy": -6.5886241251895585, "B_ion": "Si", "VB_dir": 6.270372564828923, "VB_ind": 6.270372564828923}


unique_id: 1a679d94314fba110bd57829e10a3fde
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ge", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.833987366407928, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.2, "CB_dir": 6.833987366407928, "gllbsc_dir_gap": 0.0, "standard_energy": -2.0423733911496686, "B_ion": "Tl", "VB_dir": 6.833987366407928, "VB_ind": 6.833987366407928}


unique_id: a415fd78d8d5af1bdde640b10c5e04e2
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Sc", "anion": "O2F", "combination": "ABO2F", "CB_ind": 4.7387792753675235, "gllbsc_ind_gap": 1.2, "heat_of_formation_all": 1.56, "CB_dir": 4.7387792753675235, "gllbsc_dir_gap": 1.2, "standard_energy": -9.447268764839214, "B_ion": "Ca", "VB_dir": 5.938779275367523, "VB_ind": 5.938779275367523}


unique_id: a788048cb829d27a8210bff0f5d2bba4
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ge", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.280875760343381, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.44, "CB_dir": 6.280875760343381, "gllbsc_dir_gap": 0.0, "standard_energy": -6.934301684545527, "B_ion": "V", "VB_dir": 6.280875760343381, "VB_ind": 6.280875760343381}


unique_id: ed51a0e5d27cff082d7cbc277be98256
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "K", "anion": "O2F", "combination": "ABO2F", "CB_ind": 5.441523423137119, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.72, "CB_dir": 5.441523423137119, "gllbsc_dir_gap": 0.0, "standard_energy": -12.68564795657563, "B_ion": "Sc", "VB_dir": 5.441523423137119, "VB_ind": 5.441523423137119}


unique_id: b08a3e3202c0799c54c1875757e2022e
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Zr", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.090337142506271, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.54, "CB_dir": 6.090337142506271, "gllbsc_dir_gap": 0.0, "standard_energy": -5.05470960513233, "B_ion": "Mo", "VB_dir": 6.090337142506271, "VB_ind": 6.090337142506271}


unique_id: 42850b36fc1691826c87dc5665e027d9
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ge", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.549924541754216, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.42, "CB_dir": 6.549924541754216, "gllbsc_dir_gap": 0.0, "standard_energy": -0.5422929594717334, "B_ion": "Ag", "VB_dir": 6.549924541754216, "VB_ind": 6.549924541754216}


unique_id: 1e6daf7d46ebeecacf9debe06bb1f611
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Sn", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.674764202331262, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.14, "CB_dir": 6.674764202331262, "gllbsc_dir_gap": 0.0, "standard_energy": -2.2318605647585232, "B_ion": "Hg", "VB_dir": 6.674764202331262, "VB_ind": 6.674764202331262}


unique_id: 154f7d23ba964c677c1c58f6531d3cf6
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ga", "anion": "O2F", "combination": "ABO2F", "CB_ind": 3.828152607236291, "gllbsc_ind_gap": 3.9, "heat_of_formation_all": 0.24, "CB_dir": 3.578152607236291, "gllbsc_dir_gap": 4.4, "standard_energy": -12.353412786481272, "B_ion": "Hf", "VB_dir": 7.978152607236291, "VB_ind": 7.728152607236291}


unique_id: 1a21e208b577aa852d638d88f59b22f2
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ti", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.1837019597941385, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.74, "CB_dir": 6.1837019597941385, "gllbsc_dir_gap": 0.0, "standard_energy": -1.5055249407807194, "B_ion": "Ag", "VB_dir": 6.1837019597941385, "VB_ind": 6.1837019597941385}


unique_id: 926ab26e2fada7c241ca0fafee86acfb
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ir", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.612189053994781, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.38, "CB_dir": 6.612189053994781, "gllbsc_dir_gap": 0.0, "standard_energy": -0.2747917046961561, "B_ion": "Re", "VB_dir": 6.612189053994781, "VB_ind": 6.612189053994781}


unique_id: 98cee24ae911f82635d621c54b4faca1
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ca", "anion": "O2F", "combination": "ABO2F", "CB_ind": 5.864094008490373, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.2, "CB_dir": 5.864094008490373, "gllbsc_dir_gap": 0.0, "standard_energy": -6.492646473625504, "B_ion": "Ir", "VB_dir": 5.864094008490373, "VB_ind": 5.864094008490373}


unique_id: b5d024b7d7c5fc2de5a4234a31543af2
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Te", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.7888249022065, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.46, "CB_dir": 6.7888249022065, "gllbsc_dir_gap": 0.0, "standard_energy": -0.09164282325044493, "B_ion": "Pd", "VB_dir": 6.7888249022065, "VB_ind": 6.7888249022065}


unique_id: 311ae7dd448d2c52106af2cbde121791
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ta", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.678506863240279, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.08, "CB_dir": 6.678506863240279, "gllbsc_dir_gap": 0.0, "standard_energy": 0.9707780443071226, "B_ion": "Tl", "VB_dir": 6.678506863240279, "VB_ind": 6.678506863240279}


unique_id: 673c892c0bbe48c6e3551a17fa3de8cc
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Cs", "anion": "O2F", "combination": "ABO2F", "CB_ind": 5.849949718785314, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.82, "CB_dir": 5.849949718785314, "gllbsc_dir_gap": 0.0, "standard_energy": -6.259699193344767, "B_ion": "As", "VB_dir": 5.849949718785314, "VB_ind": 5.849949718785314}


unique_id: e392a79b8ff1cb594ee71b27b8da3e27
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Al", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.092420743016497, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.96, "CB_dir": 6.092420743016497, "gllbsc_dir_gap": 0.0, "standard_energy": -2.0167722129656167, "B_ion": "Cd", "VB_dir": 6.092420743016497, "VB_ind": 6.092420743016497}


unique_id: f2b2ebd59b44a0bdd3a08d3805436553
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Rb", "anion": "O2F", "combination": "ABO2F", "CB_ind": 5.631292411871559, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.06, "CB_dir": 5.631292411871559, "gllbsc_dir_gap": 0.0, "standard_energy": -11.026488446616062, "B_ion": "Ta", "VB_dir": 5.631292411871559, "VB_ind": 5.631292411871559}


unique_id: 35682da47d6ea92496d42a33b2beabeb
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Sc", "anion": "O2F", "combination": "ABO2F", "CB_ind": 5.441523423137119, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.74, "CB_dir": 5.441523423137119, "gllbsc_dir_gap": 0.0, "standard_energy": -2.5168606169242658, "B_ion": "K", "VB_dir": 5.441523423137119, "VB_ind": 5.441523423137119}


unique_id: 81f77cdb67d8e7d50d572df55ecb796c
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Bi", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.181374962772088, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.48, "CB_dir": 6.181374962772088, "gllbsc_dir_gap": 0.0, "standard_energy": -6.449674748140948, "B_ion": "Cr", "VB_dir": 6.181374962772088, "VB_ind": 6.181374962772088}


unique_id: de095ce0b0e28375f749468cc7aabcad
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Pt", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.684737874301412, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.32, "CB_dir": 6.684737874301412, "gllbsc_dir_gap": 0.0, "standard_energy": -1.3239078623960223, "B_ion": "Fe", "VB_dir": 6.684737874301412, "VB_ind": 6.684737874301412}


unique_id: 4b8e67ec1032afd19036e2281bd32cfb
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Sc", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.263530572487849, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.86, "CB_dir": 6.263530572487849, "gllbsc_dir_gap": 0.0, "standard_energy": -3.9688269151165816, "B_ion": "Os", "VB_dir": 6.263530572487849, "VB_ind": 6.263530572487849}


unique_id: a8d7806d61ef08ffe0eb69cae89be258
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Mn", "anion": "O2F", "combination": "ABO2F", "CB_ind": 5.352081566135382, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.74, "CB_dir": 5.352081566135382, "gllbsc_dir_gap": 0.0, "standard_energy": -4.966149985527734, "B_ion": "Sr", "VB_dir": 5.352081566135382, "VB_ind": 5.352081566135382}


unique_id: b3fb0751f926c575619c8c37e907abad
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ag", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.521195694775713, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.8, "CB_dir": 6.521195694775713, "gllbsc_dir_gap": 0.0, "standard_energy": -2.46299157642294, "B_ion": "Ru", "VB_dir": 6.521195694775713, "VB_ind": 6.521195694775713}


unique_id: f3d632386bb532d13c18c7b9f7f42d24
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ni", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.325743721083167, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.86, "CB_dir": 6.325743721083167, "gllbsc_dir_gap": 0.0, "standard_energy": -3.5117675684315657, "B_ion": "Mo", "VB_dir": 6.325743721083167, "VB_ind": 6.325743721083167}


unique_id: 719e3e9757255f8d10033c593c6fff3a
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "As", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.365208054564451, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.96, "CB_dir": 6.365208054564451, "gllbsc_dir_gap": 0.0, "standard_energy": -8.436653363698204, "B_ion": "Sc", "VB_dir": 6.365208054564451, "VB_ind": 6.365208054564451}


unique_id: 65562f22e7c857b71ebb89233cbf4486
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ni", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.084146714181796, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.74, "CB_dir": 6.084146714181796, "gllbsc_dir_gap": 0.0, "standard_energy": -7.9825581507477334, "B_ion": "Al", "VB_dir": 6.084146714181796, "VB_ind": 6.084146714181796}


unique_id: ba654510ca0c0225c6adebe6bb3187eb
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Mg", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.029411015953839, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.62, "CB_dir": 6.029411015953839, "gllbsc_dir_gap": 0.0, "standard_energy": -9.306204928519943, "B_ion": "V", "VB_dir": 6.029411015953839, "VB_ind": 6.029411015953839}


unique_id: 3a0efa47ee1a87ce6446ae0fb209e818
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Zr", "anion": "O2F", "combination": "ABO2F", "CB_ind": 5.498846348693139, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 3.22, "CB_dir": 5.498846348693139, "gllbsc_dir_gap": 0.0, "standard_energy": 0.3115334891137449, "B_ion": "Rb", "VB_dir": 5.498846348693139, "VB_ind": 5.498846348693139}


unique_id: 9d69b9f5ebd5056aaceca173e944d611
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ba", "anion": "O2F", "combination": "ABO2F", "CB_ind": 5.728593641290899, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.36, "CB_dir": 5.728593641290899, "gllbsc_dir_gap": 0.0, "standard_energy": -10.078702113236366, "B_ion": "Mo", "VB_dir": 5.728593641290899, "VB_ind": 5.728593641290899}


unique_id: e7bbe4ef1230dc0d564f5e9c5d14a217
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ir", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.572132461280151, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.04, "CB_dir": 6.572132461280151, "gllbsc_dir_gap": 0.0, "standard_energy": 1.8223137157450573, "B_ion": "Pb", "VB_dir": 6.572132461280151, "VB_ind": 6.572132461280151}


unique_id: cfe736a0baff0c5f47812334d6861d99
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Rh", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.473772453071747, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.44, "CB_dir": 6.473772453071747, "gllbsc_dir_gap": 0.0, "standard_energy": 0.18820099759950892, "B_ion": "Cu", "VB_dir": 6.473772453071747, "VB_ind": 6.473772453071747}


unique_id: fee7617983977a29072f55202049738d
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Te", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.451882124972862, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.72, "CB_dir": 6.451882124972862, "gllbsc_dir_gap": 0.0, "standard_energy": -7.643682146496819, "B_ion": "Ti", "VB_dir": 6.451882124972862, "VB_ind": 6.451882124972862}


unique_id: 426a45e2c7db78f26d0727ef1cd8578b
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "In", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.014148761268438, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.42, "CB_dir": 6.014148761268438, "gllbsc_dir_gap": 0.0, "standard_energy": -6.248682769997961, "B_ion": "Sn", "VB_dir": 6.014148761268438, "VB_ind": 6.014148761268438}


unique_id: 14aa38491adc1510aac41da2571feff2
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "In", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.280420558442646, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.16, "CB_dir": 6.280420558442646, "gllbsc_dir_gap": 0.0, "standard_energy": -2.5315735667304042, "B_ion": "Ir", "VB_dir": 6.280420558442646, "VB_ind": 6.280420558442646}


unique_id: a31e97942d5525c15e07386ca7795e18
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Y", "anion": "O2F", "combination": "ABO2F", "CB_ind": 5.632219503062393, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.02, "CB_dir": 5.632219503062393, "gllbsc_dir_gap": 0.0, "standard_energy": -11.569179541271613, "B_ion": "Li", "VB_dir": 5.632219503062393, "VB_ind": 5.632219503062393}


unique_id: 54d76f13a09d777edbb244ddd966c433
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ag", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.549924541754216, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.54, "CB_dir": 6.549924541754216, "gllbsc_dir_gap": 0.0, "standard_energy": -4.94845880229277, "B_ion": "Ge", "VB_dir": 6.549924541754216, "VB_ind": 6.549924541754216}


unique_id: 620f568f45fbfee8a7991bb5122d8cbf
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Mn", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.237497943929308, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.3, "CB_dir": 6.237497943929308, "gllbsc_dir_gap": 0.0, "standard_energy": -2.4564868670305273, "B_ion": "Rh", "VB_dir": 6.237497943929308, "VB_ind": 6.237497943929308}


unique_id: 2a56eb0c6183b15cd9b53629ec361f22
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "K", "anion": "O2F", "combination": "ABO2F", "CB_ind": 5.672043775278787, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.7, "CB_dir": 5.672043775278787, "gllbsc_dir_gap": 0.0, "standard_energy": -7.4275301447802615, "B_ion": "Bi", "VB_dir": 5.672043775278787, "VB_ind": 5.672043775278787}


unique_id: d101a46e380a6cddf418d363023bb56a
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Pb", "anion": "O2F", "combination": "ABO2F", "CB_ind": 5.860185395397559, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.24, "CB_dir": 5.860185395397559, "gllbsc_dir_gap": 0.0, "standard_energy": -5.250224525927838, "B_ion": "Li", "VB_dir": 5.860185395397559, "VB_ind": 5.860185395397559}


unique_id: d7d6c03be57a41af8c091364c693ff91
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ir", "anion": "O2F", "combination": "ABO2F", "CB_ind": 5.753371092407474, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.74, "CB_dir": 5.753371092407474, "gllbsc_dir_gap": 0.0, "standard_energy": 1.0743553084522652, "B_ion": "Sr", "VB_dir": 5.753371092407474, "VB_ind": 5.753371092407474}


unique_id: 3b118a14ef51aab66bb1e4a6a4c5a8e7
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Zn", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.7888249022065, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.4, "CB_dir": 6.7888249022065, "gllbsc_dir_gap": 0.0, "standard_energy": -1.7885491312089332, "B_ion": "Tl", "VB_dir": 6.7888249022065, "VB_ind": 6.7888249022065}


unique_id: 2d1f1161a2ffe10aeecb30fedfee33ef
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ti", "anion": "O2F", "combination": "ABO2F", "CB_ind": 5.795260491657478, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.72, "CB_dir": 5.795260491657478, "gllbsc_dir_gap": 0.0, "standard_energy": -10.699214764328513, "B_ion": "Al", "VB_dir": 5.795260491657478, "VB_ind": 5.795260491657478}


unique_id: 94acd75cf21d1783ba6763a61ff75538
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Pt", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.80236483004965, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.92, "CB_dir": 6.80236483004965, "gllbsc_dir_gap": 0.0, "standard_energy": 1.5165111504764348, "B_ion": "Cd", "VB_dir": 6.80236483004965, "VB_ind": 6.80236483004965}


unique_id: 87eb4619aa359157a89cd0ee6966539d
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Cr", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.280420558442647, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.88, "CB_dir": 6.280420558442647, "gllbsc_dir_gap": 0.0, "standard_energy": -5.021778137835783, "B_ion": "Zn", "VB_dir": 6.280420558442647, "VB_ind": 6.280420558442647}


unique_id: a105261fb6a596c7cec1fdcdee81587a
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Pb", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.073773002128066, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.14, "CB_dir": 6.073773002128066, "gllbsc_dir_gap": 0.0, "standard_energy": -8.649467220895165, "B_ion": "V", "VB_dir": 6.073773002128066, "VB_ind": 6.073773002128066}


unique_id: 3a014a005e09352fb9b3b4a38d821668
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "W", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.618513263226569, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.78, "CB_dir": 6.618513263226569, "gllbsc_dir_gap": 0.0, "standard_energy": 1.3575120920704329, "B_ion": "Os", "VB_dir": 6.618513263226569, "VB_ind": 6.618513263226569}


unique_id: b9a64b68e20a839cb377ca975ebcb48b
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Cd", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.78271158755796, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.1, "CB_dir": 6.78271158755796, "gllbsc_dir_gap": 0.0, "standard_energy": -2.9966298935074964, "B_ion": "Tl", "VB_dir": 6.78271158755796, "VB_ind": 6.78271158755796}


unique_id: 8ba9d852d18fe7c97d30d366d2303902
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Sb", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.057946813968202, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.74, "CB_dir": 6.057946813968202, "gllbsc_dir_gap": 0.0, "standard_energy": -2.0152332595187152, "B_ion": "Na", "VB_dir": 6.057946813968202, "VB_ind": 6.057946813968202}


unique_id: dbb627c6f98d57dca67efc05a7c7d582
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Si", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.591894865709369, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.04, "CB_dir": 6.591894865709369, "gllbsc_dir_gap": 0.0, "standard_energy": -0.8773442927714402, "B_ion": "Cd", "VB_dir": 6.591894865709369, "VB_ind": 6.591894865709369}


unique_id: d42635601839c333457ed5933a4d8d2a
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ta", "anion": "O2F", "combination": "ABO2F", "CB_ind": 5.562236413680722, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.08, "CB_dir": 5.562236413680722, "gllbsc_dir_gap": 0.0, "standard_energy": -3.7274509509018987, "B_ion": "Ca", "VB_dir": 5.562236413680722, "VB_ind": 5.562236413680722}


unique_id: dc68230701e7e35c5dde8777daa17eb7
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Rh", "anion": "O2F", "combination": "ABO2F", "CB_ind": 5.509444679147443, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.32, "CB_dir": 5.509444679147443, "gllbsc_dir_gap": 0.0, "standard_energy": -1.0898771081371201, "B_ion": "Sr", "VB_dir": 5.509444679147443, "VB_ind": 5.509444679147443}


unique_id: d7c8c9b91790b6cf058538793b9ab221
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Li", "anion": "O2F", "combination": "ABO2F", "CB_ind": 5.570867435403468, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.1, "CB_dir": 5.570867435403468, "gllbsc_dir_gap": 0.0, "standard_energy": -10.507433034864036, "B_ion": "La", "VB_dir": 5.570867435403468, "VB_ind": 5.570867435403468}


unique_id: 87979b0abcf33051b457d919851dd309
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Fe", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.399837486175869, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.24, "CB_dir": 6.399837486175869, "gllbsc_dir_gap": 0.0, "standard_energy": -1.6761710646533956, "B_ion": "Cu", "VB_dir": 6.399837486175869, "VB_ind": 6.399837486175869}


unique_id: 92394616a7c537e47ce9c0b404835403
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Zr", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.250359642349156, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.1, "CB_dir": 6.250359642349156, "gllbsc_dir_gap": 0.0, "standard_energy": -2.274926775570571, "B_ion": "Ag", "VB_dir": 6.250359642349156, "VB_ind": 6.250359642349156}


unique_id: 45b507e7ea400a3f522f28a0585531f7
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ti", "anion": "O2F", "combination": "ABO2F", "CB_ind": 5.5898340420508505, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.58, "CB_dir": 5.5898340420508505, "gllbsc_dir_gap": 0.0, "standard_energy": -2.8235308042929192, "B_ion": "Ba", "VB_dir": 5.5898340420508505, "VB_ind": 5.5898340420508505}


unique_id: 51fe04b1d4fecbf7d23949db62320879
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "As", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.75023532099973, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.26, "CB_dir": 6.75023532099973, "gllbsc_dir_gap": 0.0, "standard_energy": -0.9619607255479803, "B_ion": "Cu", "VB_dir": 6.75023532099973, "VB_ind": 6.75023532099973}


unique_id: d9646c05fda6b5acae00ce545bb3d00a
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ge", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.538080116044026, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.7, "CB_dir": 6.538080116044026, "gllbsc_dir_gap": 0.0, "standard_energy": -4.14762852477903, "B_ion": "W", "VB_dir": 6.538080116044026, "VB_ind": 6.538080116044026}


unique_id: bb242204ca4d35a0aa31e6b33850d3db
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Zn", "anion": "O2F", "combination": "ABO2F", "CB_ind": 5.547357280044693, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.76, "CB_dir": 5.547357280044693, "gllbsc_dir_gap": 0.0, "standard_energy": -4.43658672263553, "B_ion": "Sr", "VB_dir": 5.547357280044693, "VB_ind": 5.547357280044693}


unique_id: 16250a4223b5485c7da4f3bb4fb6afb4
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Cr", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.274765060244949, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.44, "CB_dir": 6.274765060244949, "gllbsc_dir_gap": 0.0, "standard_energy": -1.9060538423238609, "B_ion": "Cd", "VB_dir": 6.274765060244949, "VB_ind": 6.274765060244949}


unique_id: 4ed12b5f168659e61a51aef6a41729b8
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ge", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.508087657702812, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.14, "CB_dir": 6.508087657702812, "gllbsc_dir_gap": 0.0, "standard_energy": -1.9698004261629265, "B_ion": "Rh", "VB_dir": 6.508087657702812, "VB_ind": 6.508087657702812}


unique_id: 1feffc23ebad143db156ad54fb0b55ba
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Cd", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.500780101725277, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.34, "CB_dir": 6.500780101725277, "gllbsc_dir_gap": 0.0, "standard_energy": -1.3936811814898125, "B_ion": "Ag", "VB_dir": 6.500780101725277, "VB_ind": 6.500780101725277}


unique_id: d62f04e1106250aa772ddae9b9ebf41f
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ta", "anion": "O2F", "combination": "ABO2F", "CB_ind": 5.991327286783494, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.56, "CB_dir": 5.991327286783494, "gllbsc_dir_gap": 0.0, "standard_energy": -6.7370597225837106, "B_ion": "Y", "VB_dir": 5.991327286783494, "VB_ind": 5.991327286783494}


unique_id: 8dd6463b4297b02804ec764023e2a0ac
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Bi", "anion": "O2F", "combination": "ABO2F", "CB_ind": 5.141312915974781, "gllbsc_ind_gap": 2.1, "heat_of_formation_all": 0.54, "CB_dir": 4.74131291597478, "gllbsc_dir_gap": 2.9, "standard_energy": -8.659567951654152, "B_ion": "Mg", "VB_dir": 7.641312915974781, "VB_ind": 7.24131291597478}


unique_id: f7deb09eeb17d304067ddc54245ac3ca
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ta", "anion": "O2F", "combination": "ABO2F", "CB_ind": 5.631292411871559, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 3.16, "CB_dir": 5.631292411871559, "gllbsc_dir_gap": 0.0, "standard_energy": 4.547789399257131, "B_ion": "Rb", "VB_dir": 5.631292411871559, "VB_ind": 5.631292411871559}


unique_id: 4ff31e611732a2800f6a02e0e28b30da
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Co", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.04867101608311, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.18, "CB_dir": 6.04867101608311, "gllbsc_dir_gap": 0.0, "standard_energy": -7.755864809107335, "B_ion": "Y", "VB_dir": 6.04867101608311, "VB_ind": 6.04867101608311}


unique_id: 4c71651a0464337a98fee1e76aba69ef
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ag", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.2365618043187805, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.38, "CB_dir": 6.2365618043187805, "gllbsc_dir_gap": 0.0, "standard_energy": -7.287290368466808, "B_ion": "V", "VB_dir": 6.2365618043187805, "VB_ind": 6.2365618043187805}


unique_id: 3cd4833fd6438796ce671b95b764232f
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ge", "anion": "O2F", "combination": "ABO2F", "CB_ind": 4.438478077851862, "gllbsc_ind_gap": 3.4, "heat_of_formation_all": 0.42, "CB_dir": 4.138478077851862, "gllbsc_dir_gap": 4.0, "standard_energy": -9.519342523182628, "B_ion": "Al", "VB_dir": 8.138478077851861, "VB_ind": 7.838478077851862}


unique_id: be8f6dfbb402a7225e8b5400f01c677f
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "In", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.055534424434394, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.12, "CB_dir": 6.055534424434394, "gllbsc_dir_gap": 0.0, "standard_energy": -2.688212675355493, "B_ion": "Pd", "VB_dir": 6.055534424434394, "VB_ind": 6.055534424434394}


unique_id: d096991f34c23d7fc3a63a95e497aaa8
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Cr", "anion": "O2F", "combination": "ABO2F", "CB_ind": 5.968710892095366, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.54, "CB_dir": 5.968710892095366, "gllbsc_dir_gap": 0.0, "standard_energy": -9.981082702850305, "B_ion": "Ti", "VB_dir": 5.968710892095366, "VB_ind": 5.968710892095366}


unique_id: 95b4ca43657d38583444fb1a87da04bc
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Au", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.195412930196296, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.92, "CB_dir": 6.195412930196296, "gllbsc_dir_gap": 0.0, "standard_energy": -2.3065760597610225, "B_ion": "Ba", "VB_dir": 6.195412930196296, "VB_ind": 6.195412930196296}


unique_id: 97734de78d11ee2bdc0d83802470fd0b
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Re", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.160887300801643, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.68, "CB_dir": 6.160887300801643, "gllbsc_dir_gap": 0.0, "standard_energy": -2.987394171822709, "B_ion": "Mg", "VB_dir": 6.160887300801643, "VB_ind": 6.160887300801643}


unique_id: da7fd89b8a17af8eca469772e2eeaa48
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Li", "anion": "O2F", "combination": "ABO2F", "CB_ind": 5.808045680894, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.68, "CB_dir": 5.808045680894, "gllbsc_dir_gap": 0.0, "standard_energy": -8.67321083928503, "B_ion": "Mn", "VB_dir": 5.808045680894, "VB_ind": 5.808045680894}


unique_id: 2fef92315f40b32cd872d3f62364db85
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Rb", "anion": "O2F", "combination": "ABO2F", "CB_ind": 5.067740650209954, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.18, "CB_dir": 5.067740650209954, "gllbsc_dir_gap": 0.0, "standard_energy": -2.2254789145320997, "B_ion": "K", "VB_dir": 5.067740650209954, "VB_ind": 5.067740650209954}


unique_id: 329d85a579ef1ba830d82756e86605db
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Si", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.712400709794525, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.7, "CB_dir": 6.712400709794525, "gllbsc_dir_gap": 0.0, "standard_energy": -2.418331308326289, "B_ion": "Sb", "VB_dir": 6.712400709794525, "VB_ind": 6.712400709794525}


unique_id: 714f7e4e03a71b940ecb73f7c99bf36c
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Tl", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.681761497760077, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.6, "CB_dir": 6.681761497760077, "gllbsc_dir_gap": 0.0, "standard_energy": -5.340682820771631, "B_ion": "Bi", "VB_dir": 6.681761497760077, "VB_ind": 6.681761497760077}


unique_id: 1dae5ccf82601f5a3cdbaa36bdbb1132
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ta", "anion": "O2F", "combination": "ABO2F", "CB_ind": 5.4572130230642815, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.68, "CB_dir": 5.4572130230642815, "gllbsc_dir_gap": 0.0, "standard_energy": -0.9535555483756202, "B_ion": "Sr", "VB_dir": 5.4572130230642815, "VB_ind": 5.4572130230642815}


unique_id: 5f4a51771f973979fc1a8c02caf547e7
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Hf", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.074735548760093, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.2, "CB_dir": 6.074735548760093, "gllbsc_dir_gap": 0.0, "standard_energy": -2.1830088053503154, "B_ion": "Bi", "VB_dir": 6.074735548760093, "VB_ind": 6.074735548760093}


unique_id: 4919e41a2a12586208a3df306707d10a
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Rb", "anion": "O2F", "combination": "ABO2F", "CB_ind": 5.32504946855722, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.84, "CB_dir": 5.32504946855722, "gllbsc_dir_gap": 0.0, "standard_energy": -7.113070706012888, "B_ion": "In", "VB_dir": 5.32504946855722, "VB_ind": 5.32504946855722}


unique_id: 350a1e6f70f05588e1c040c41e6b5814
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Co", "anion": "O2F", "combination": "ABO2F", "CB_ind": 5.9138567363616685, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.7, "CB_dir": 5.9138567363616685, "gllbsc_dir_gap": 0.0, "standard_energy": 3.2068848691687766, "B_ion": "Na", "VB_dir": 5.9138567363616685, "VB_ind": 5.9138567363616685}


unique_id: 5e9ac20025a73adccbff84f2a65b481d
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Sb", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.128551962045067, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.02, "CB_dir": 6.128551962045067, "gllbsc_dir_gap": 0.0, "standard_energy": -7.848193217428553, "B_ion": "La", "VB_dir": 6.128551962045067, "VB_ind": 6.128551962045067}


unique_id: 8d2d3255c1242cbcefa6a040b8090a33
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Cd", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.630222419591866, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.88, "CB_dir": 6.630222419591866, "gllbsc_dir_gap": 0.0, "standard_energy": -6.750388529243994, "B_ion": "Be", "VB_dir": 6.630222419591866, "VB_ind": 6.630222419591866}


unique_id: 1ed395721948d73d17f627442162b0e4
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Co", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.450484898054111, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.12, "CB_dir": 6.450484898054111, "gllbsc_dir_gap": 0.0, "standard_energy": -2.033298911423028, "B_ion": "W", "VB_dir": 6.450484898054111, "VB_ind": 6.450484898054111}


unique_id: 9805180caa2773b0971e76ebca97a26a
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Li", "anion": "O2F", "combination": "ABO2F", "CB_ind": 5.329475974076144, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.7, "CB_dir": 5.329475974076144, "gllbsc_dir_gap": 0.0, "standard_energy": -0.06925761404745212, "B_ion": "K", "VB_dir": 5.329475974076144, "VB_ind": 5.329475974076144}


unique_id: 771532031bf376a8214a4def680b442d
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Cu", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.532903482380795, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.08, "CB_dir": 6.532903482380795, "gllbsc_dir_gap": 0.0, "standard_energy": -1.5677456480823526, "B_ion": "Ru", "VB_dir": 6.532903482380795, "VB_ind": 6.532903482380795}


unique_id: cca8a6056be0a8b446dad5a4b25b382a
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ge", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.5469714636635095, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.18, "CB_dir": 6.5469714636635095, "gllbsc_dir_gap": 0.0, "standard_energy": -2.2185515085614083, "B_ion": "Cd", "VB_dir": 6.5469714636635095, "VB_ind": 6.5469714636635095}


unique_id: a201966ca347645107533dd227f8cc32
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Mg", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.29051774975994, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.1, "CB_dir": 6.29051774975994, "gllbsc_dir_gap": 0.0, "standard_energy": -6.431208760121303, "B_ion": "Zn", "VB_dir": 6.29051774975994, "VB_ind": 6.29051774975994}


unique_id: 3fd65869a89735b02530b8fe361bac9b
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Re", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.383996109921402, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.78, "CB_dir": 6.383996109921402, "gllbsc_dir_gap": 0.0, "standard_energy": 1.7082013517496826, "B_ion": "Cu", "VB_dir": 6.383996109921402, "VB_ind": 6.383996109921402}


unique_id: bf78a26454d87a0b04e744d4bf1126b7
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Te", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.608646556113932, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.36, "CB_dir": 6.608646556113932, "gllbsc_dir_gap": 0.0, "standard_energy": -1.537198583511719, "B_ion": "Pb", "VB_dir": 6.608646556113932, "VB_ind": 6.608646556113932}


unique_id: 4ed2f9775c8ec60600a6fcb57af126a2
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Sn", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.742427672663608, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.84, "CB_dir": 6.742427672663608, "gllbsc_dir_gap": 0.0, "standard_energy": -3.817236074282105, "B_ion": "Te", "VB_dir": 6.742427672663608, "VB_ind": 6.742427672663608}


unique_id: 272e90b64b4a9f8775fdbcfbdd85bcf8
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Sb", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.196045819866401, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.78, "CB_dir": 6.196045819866401, "gllbsc_dir_gap": 0.0, "standard_energy": -9.66043499740305, "B_ion": "Y", "VB_dir": 6.196045819866401, "VB_ind": 6.196045819866401}


unique_id: 67a6bd79f57f1770dabea7690aac772c
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Sb", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.666656067029115, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.86, "CB_dir": 6.666656067029115, "gllbsc_dir_gap": 0.0, "standard_energy": -3.703427485793286, "B_ion": "Ge", "VB_dir": 6.666656067029115, "VB_ind": 6.666656067029115}


unique_id: b37061b7899384089e205349b94a8d9c
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Bi", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.493784785391012, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.16, "CB_dir": 6.493784785391012, "gllbsc_dir_gap": 0.0, "standard_energy": -5.042539424211489, "B_ion": "Si", "VB_dir": 6.493784785391012, "VB_ind": 6.493784785391012}


unique_id: 99aaede66665fac838410658f6b06d12
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Cd", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.512451236324, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.92, "CB_dir": 6.512451236324, "gllbsc_dir_gap": 0.0, "standard_energy": -3.508074461894948, "B_ion": "Cu", "VB_dir": 6.512451236324, "VB_ind": 6.512451236324}


unique_id: 3ac563ec3cfb7811d7f39469a3a66129
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "In", "anion": "O2F", "combination": "ABO2F", "CB_ind": 5.927785408971146, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.18, "CB_dir": 5.927785408971146, "gllbsc_dir_gap": 0.0, "standard_energy": -8.76003651015023, "B_ion": "Nb", "VB_dir": 5.927785408971146, "VB_ind": 5.927785408971146}


unique_id: c9d7244be8dd6aaf9632f4652ac2a348
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ba", "anion": "O2F", "combination": "ABO2F", "CB_ind": 5.380269958156195, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.42, "CB_dir": 5.380269958156195, "gllbsc_dir_gap": 0.0, "standard_energy": -7.60983224004749, "B_ion": "Na", "VB_dir": 5.380269958156195, "VB_ind": 5.380269958156195}


unique_id: 17dc21891d30f21073ee265d4a8fb342
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "W", "anion": "O2F", "combination": "ABO2F", "CB_ind": 5.86848002237745, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.54, "CB_dir": 5.86848002237745, "gllbsc_dir_gap": 0.0, "standard_energy": 0.8113959134247537, "B_ion": "Ba", "VB_dir": 5.86848002237745, "VB_ind": 5.86848002237745}


unique_id: 8331094a99b8cad40ec3b13118b6114f
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Sn", "anion": "O2F", "combination": "ABO2F", "CB_ind": 5.509444679147443, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.24, "CB_dir": 5.509444679147443, "gllbsc_dir_gap": 0.0, "standard_energy": -6.436697337793232, "B_ion": "Sr", "VB_dir": 5.509444679147443, "VB_ind": 5.509444679147443}


unique_id: 127fa8cda1de7a00ed2e2f43e8847851
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Cd", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.616635784018049, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.68, "CB_dir": 6.616635784018049, "gllbsc_dir_gap": 0.0, "standard_energy": -4.811763713356079, "B_ion": "Sb", "VB_dir": 6.616635784018049, "VB_ind": 6.616635784018049}


unique_id: 21dd48368282692fc9af0b9bf7bdb710
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Hf", "anion": "O2F", "combination": "ABO2F", "CB_ind": 5.954805765115183, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.46, "CB_dir": 5.954805765115183, "gllbsc_dir_gap": 0.0, "standard_energy": -6.690707691183503, "B_ion": "Cr", "VB_dir": 5.954805765115183, "VB_ind": 5.954805765115183}


unique_id: b50c54fc03e075b919284ccee1ad011c
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Sr", "anion": "O2F", "combination": "ABO2F", "CB_ind": 5.430328892246406, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.5, "CB_dir": 5.430328892246406, "gllbsc_dir_gap": 0.0, "standard_energy": -11.468139272467118, "B_ion": "Nb", "VB_dir": 5.430328892246406, "VB_ind": 5.430328892246406}


unique_id: 66dccbbf5f30962adc24faeb2f730a8f
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Rh", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.4650789045252, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.6, "CB_dir": 6.4650789045252, "gllbsc_dir_gap": 0.0, "standard_energy": 1.2198867382857008, "B_ion": "Pd", "VB_dir": 6.4650789045252, "VB_ind": 6.4650789045252}


unique_id: c21117274a8f8d6808c2120a6b9802f5
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Mn", "anion": "O2F", "combination": "ABO2F", "CB_ind": 5.930154628516491, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.58, "CB_dir": 5.930154628516491, "gllbsc_dir_gap": 0.0, "standard_energy": -11.386919681720057, "B_ion": "Sc", "VB_dir": 5.930154628516491, "VB_ind": 5.930154628516491}


unique_id: c4ad3c55f2d114feb3d7b71ebf677858
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Os", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.723436364487048, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.06, "CB_dir": 6.723436364487048, "gllbsc_dir_gap": 0.0, "standard_energy": -0.4757988779699982, "B_ion": "Si", "VB_dir": 6.723436364487048, "VB_ind": 6.723436364487048}


unique_id: 87c0d7448378328161cca6cf3bc361f6
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Cs", "anion": "O2F", "combination": "ABO2F", "CB_ind": 5.661603643759348, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.04, "CB_dir": 5.661603643759348, "gllbsc_dir_gap": 0.0, "standard_energy": -4.792268760418045, "B_ion": "Ru", "VB_dir": 5.661603643759348, "VB_ind": 5.661603643759348}


unique_id: 74276c19e342a2a58996ac9fc50866f7
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "As", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.314868579824458, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.86, "CB_dir": 6.314868579824458, "gllbsc_dir_gap": 0.0, "standard_energy": -7.350395293204551, "B_ion": "Al", "VB_dir": 6.314868579824458, "VB_ind": 6.314868579824458}


unique_id: 94fb5d7f5a314b7adbe23a7e7b7a7b0b
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Rb", "anion": "O2F", "combination": "ABO2F", "CB_ind": 5.724312176385452, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.22, "CB_dir": 5.724312176385452, "gllbsc_dir_gap": 0.0, "standard_energy": -3.9167453755432664, "B_ion": "Pd", "VB_dir": 5.724312176385452, "VB_ind": 5.724312176385452}


unique_id: 51a7db4d7fc0a00b839f8f3cf0a7ff39
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Cs", "anion": "O2F", "combination": "ABO2F", "CB_ind": 5.25495859068477, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.92, "CB_dir": 5.25495859068477, "gllbsc_dir_gap": 0.0, "standard_energy": -6.786315171595215, "B_ion": "In", "VB_dir": 5.25495859068477, "VB_ind": 5.25495859068477}


unique_id: 478a763d2ac26e5d71b834e7d077458c
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Co", "anion": "O2F", "combination": "ABO2F", "CB_ind": 5.615473261534149, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.18, "CB_dir": 5.615473261534149, "gllbsc_dir_gap": 0.0, "standard_energy": -1.714168239842385, "B_ion": "Ca", "VB_dir": 5.615473261534149, "VB_ind": 5.615473261534149}


unique_id: efb9ecc714496cf9317724a4774ae27e
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Be", "anion": "O2F", "combination": "ABO2F", "CB_ind": 5.996175163332442, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.66, "CB_dir": 5.996175163332442, "gllbsc_dir_gap": 0.0, "standard_energy": -1.2997842578099537, "B_ion": "Ba", "VB_dir": 5.996175163332442, "VB_ind": 5.996175163332442}


unique_id: 536052b39cde347219f7f1a3edbf8ac9
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Sn", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.267905025151208, "gllbsc_ind_gap": 0.3, "heat_of_formation_all": 0.92, "CB_dir": 5.567905025151209, "gllbsc_dir_gap": 1.7, "standard_energy": -5.48641011538812, "B_ion": "B", "VB_dir": 7.267905025151208, "VB_ind": 6.567905025151209}


unique_id: 30879059041510c787599b27ae220e11
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Os", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.5850847188101405, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.18, "CB_dir": 6.5850847188101405, "gllbsc_dir_gap": 0.0, "standard_energy": 0.8523271793301301, "B_ion": "B", "VB_dir": 6.5850847188101405, "VB_ind": 6.5850847188101405}


unique_id: 8a756ca54a3284a7a83ce137bf5bce05
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ga", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.419087485054687, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.6, "CB_dir": 6.419087485054687, "gllbsc_dir_gap": 0.0, "standard_energy": -0.4842524305879543, "B_ion": "Au", "VB_dir": 6.419087485054687, "VB_ind": 6.419087485054687}


unique_id: 6f31e3690824fca16c7c6782a86091e2
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ga", "anion": "O2F", "combination": "ABO2F", "CB_ind": 5.9950789035547185, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.18, "CB_dir": 5.9950789035547185, "gllbsc_dir_gap": 0.0, "standard_energy": -8.954115832882534, "B_ion": "Ta", "VB_dir": 5.9950789035547185, "VB_ind": 5.9950789035547185}


unique_id: 73faf9ae7cc4d6b08e497a29bc6a26a0
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ir", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.6088879095359605, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.22, "CB_dir": 6.6088879095359605, "gllbsc_dir_gap": 0.0, "standard_energy": -2.9355249523270857, "B_ion": "Nb", "VB_dir": 6.6088879095359605, "VB_ind": 6.6088879095359605}


unique_id: 1a7c745ce5c96cb27ee867b8faa52cff
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "In", "anion": "O2F", "combination": "ABO2F", "CB_ind": 5.851763001063369, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.72, "CB_dir": 5.851763001063369, "gllbsc_dir_gap": 0.0, "standard_energy": -7.927052414525237, "B_ion": "Mg", "VB_dir": 5.851763001063369, "VB_ind": 5.851763001063369}


unique_id: 7b7e5795f8e02a01daf7d55584e4c764
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "As", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.858223878338045, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.16, "CB_dir": 6.858223878338045, "gllbsc_dir_gap": 0.0, "standard_energy": -2.183991563518104, "B_ion": "Sb", "VB_dir": 6.858223878338045, "VB_ind": 6.858223878338045}


unique_id: fe2bab79606158daaa3a5ed69ef4754f
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Sn", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.196726488442482, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.22, "CB_dir": 6.196726488442482, "gllbsc_dir_gap": 0.0, "standard_energy": -8.092574896383212, "B_ion": "V", "VB_dir": 6.196726488442482, "VB_ind": 6.196726488442482}


unique_id: ea3ed0bca98e7026c41607800d83722f
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Au", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.070247128791169, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.74, "CB_dir": 6.070247128791169, "gllbsc_dir_gap": 0.0, "standard_energy": 3.6273956140613173, "B_ion": "K", "VB_dir": 6.070247128791169, "VB_ind": 6.070247128791169}


unique_id: 33ef5a386317b977865e606e927fbb9f
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "In", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.014148761268438, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.72, "CB_dir": 6.014148761268438, "gllbsc_dir_gap": 0.0, "standard_energy": -4.833197821480143, "B_ion": "Co", "VB_dir": 6.014148761268438, "VB_ind": 6.014148761268438}


unique_id: 9bc93e0a1567bc4428e17ca59aa919ca
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ca", "anion": "O2F", "combination": "ABO2F", "CB_ind": 5.431414523859017, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.72, "CB_dir": 5.431414523859017, "gllbsc_dir_gap": 0.0, "standard_energy": -13.524743153031485, "B_ion": "Zr", "VB_dir": 5.431414523859017, "VB_ind": 5.431414523859017}


unique_id: d8be9cff4df3343974079e4fb4a336f0
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Na", "anion": "O2F", "combination": "ABO2F", "CB_ind": 6.070386234600322, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.42, "CB_dir": 6.070386234600322, "gllbsc_dir_gap": 0.0, "standard_energy": -6.620417795860069, "B_ion": "Be", "VB_dir": 6.070386234600322, "VB_ind": 6.070386234600322}


unique_id: deaff1ba2eeb367cc2937f2b043c1bab
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Mn", "anion": "O3", "combination": "ABO3", "CB_ind": 5.988718801800583, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.56, "CB_dir": 5.988718801800583, "gllbsc_dir_gap": 0.0, "standard_energy": -4.555194931894265, "B_ion": "Sb", "VB_dir": 5.988718801800583, "VB_ind": 5.988718801800583}


unique_id: f0a87ff6f11d76672bab1006a224dc77
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ir", "anion": "O3", "combination": "ABO3", "CB_ind": 6.322167274111062, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.8, "CB_dir": 6.322167274111062, "gllbsc_dir_gap": 0.0, "standard_energy": 1.6472921779406788, "B_ion": "Cd", "VB_dir": 6.322167274111062, "VB_ind": 6.322167274111062}


unique_id: de55b002612d090cb7e8405780287abf
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "V", "anion": "O3", "combination": "ABO3", "CB_ind": 5.4401368482388985, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.68, "CB_dir": 5.4401368482388985, "gllbsc_dir_gap": 0.0, "standard_energy": -4.659829774436675, "B_ion": "In", "VB_dir": 5.4401368482388985, "VB_ind": 5.4401368482388985}


unique_id: cbb1edf984f65849565ae46a9623208a
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Pb", "anion": "O3", "combination": "ABO3", "CB_ind": 5.947336462077832, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.1, "CB_dir": 5.947336462077832, "gllbsc_dir_gap": 0.0, "standard_energy": -1.8721293526395133, "B_ion": "Cu", "VB_dir": 5.947336462077832, "VB_ind": 5.947336462077832}


unique_id: fc51ea8c32ba35765f13515e0bd64339
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ta", "anion": "O3", "combination": "ABO3", "CB_ind": 5.6909482034127326, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.68, "CB_dir": 5.6909482034127326, "gllbsc_dir_gap": 0.0, "standard_energy": -9.601856236414795, "B_ion": "Hf", "VB_dir": 5.6909482034127326, "VB_ind": 5.6909482034127326}


unique_id: ad74534a7025e6856a9268af5e5e8734
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ge", "anion": "O3", "combination": "ABO3", "CB_ind": 6.042064030818939, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.18, "CB_dir": 6.042064030818939, "gllbsc_dir_gap": 0.0, "standard_energy": -7.7611339371152095, "B_ion": "Ta", "VB_dir": 6.042064030818939, "VB_ind": 6.042064030818939}


unique_id: 2c336a4ed4c19b24550c0732d3a56454
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Nb", "anion": "O3", "combination": "ABO3", "CB_ind": 5.928986239837511, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.08, "CB_dir": 5.928986239837511, "gllbsc_dir_gap": 0.0, "standard_energy": -5.119381929440793, "B_ion": "B", "VB_dir": 5.928986239837511, "VB_ind": 5.928986239837511}


unique_id: 2825932f8bd1711c2429b4a51d6ac38b
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Be", "anion": "O3", "combination": "ABO3", "CB_ind": 5.826626882203061, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.56, "CB_dir": 5.826626882203061, "gllbsc_dir_gap": 0.0, "standard_energy": -5.568631460651259, "B_ion": "Al", "VB_dir": 5.826626882203061, "VB_ind": 5.826626882203061}


unique_id: 7cde3ad25e8bac9d35bcfce3d7429804
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Os", "anion": "O3", "combination": "ABO3", "CB_ind": 6.174935828562044, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.64, "CB_dir": 6.174935828562044, "gllbsc_dir_gap": 0.0, "standard_energy": 0.8584297991507501, "B_ion": "Co", "VB_dir": 6.174935828562044, "VB_ind": 6.174935828562044}


unique_id: 6c05ae62907621f5bba35c7a1b619d6b
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ti", "anion": "O3", "combination": "ABO3", "CB_ind": 6.04721310674084, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.7, "CB_dir": 6.04721310674084, "gllbsc_dir_gap": 0.0, "standard_energy": -2.702204491944644, "B_ion": "Te", "VB_dir": 6.04721310674084, "VB_ind": 6.04721310674084}


unique_id: a78fd3767564c49f6e35068b60cce55f
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Tl", "anion": "O3", "combination": "ABO3", "CB_ind": 6.348658840495298, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.14, "CB_dir": 6.348658840495298, "gllbsc_dir_gap": 0.0, "standard_energy": -1.6442677240399686, "B_ion": "Ni", "VB_dir": 6.348658840495298, "VB_ind": 6.348658840495298}


unique_id: 5972368743e45d5a1f5b9bfa3dfd7604
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Al", "anion": "O3", "combination": "ABO3", "CB_ind": 5.71544426995953, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.62, "CB_dir": 5.71544426995953, "gllbsc_dir_gap": 0.0, "standard_energy": -2.6103706790886205, "B_ion": "Pd", "VB_dir": 5.71544426995953, "VB_ind": 5.71544426995953}


unique_id: f0de602fdce6ac43c7e9cd59ebd0a95f
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "W", "anion": "O3", "combination": "ABO3", "CB_ind": 6.203392959955874, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.02, "CB_dir": 6.203392959955874, "gllbsc_dir_gap": 0.0, "standard_energy": 2.7291944732963174, "B_ion": "Os", "VB_dir": 6.203392959955874, "VB_ind": 6.203392959955874}


unique_id: 410938920f0eb78b5a7ebe5ad4ddd26d
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ru", "anion": "O3", "combination": "ABO3", "CB_ind": 5.955694466512228, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.0, "CB_dir": 5.955694466512228, "gllbsc_dir_gap": 0.0, "standard_energy": -2.3674395707035973, "B_ion": "Mo", "VB_dir": 5.955694466512228, "VB_ind": 5.955694466512228}


unique_id: 37c9c23beef663d17fbc1fab9277ee75
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "In", "anion": "O3", "combination": "ABO3", "CB_ind": 5.936361823927538, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.16, "CB_dir": 5.936361823927538, "gllbsc_dir_gap": 0.0, "standard_energy": -1.5961298844624587, "B_ion": "Pt", "VB_dir": 5.936361823927538, "VB_ind": 5.936361823927538}


unique_id: 65fb0aab0291d7c8e54037c100a0a8c9
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Au", "anion": "O3", "combination": "ABO3", "CB_ind": 6.0127103757557165, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.58, "CB_dir": 6.0127103757557165, "gllbsc_dir_gap": 0.0, "standard_energy": -4.563941509064209, "B_ion": "Y", "VB_dir": 6.0127103757557165, "VB_ind": 6.0127103757557165}


unique_id: df7da6c7ea86136f9a0079bc8a94c26f
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ag", "anion": "O3", "combination": "ABO3", "CB_ind": 5.639841239720582, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.96, "CB_dir": 5.639841239720582, "gllbsc_dir_gap": 0.0, "standard_energy": 1.0927058655775779, "B_ion": "Li", "VB_dir": 5.639841239720582, "VB_ind": 5.639841239720582}


unique_id: f5bae9d617ab2f6c93b942d4a47dfb6f
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Cr", "anion": "O3", "combination": "ABO3", "CB_ind": 6.095940896343947, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.92, "CB_dir": 6.095940896343947, "gllbsc_dir_gap": 0.0, "standard_energy": -2.8227430916714997, "B_ion": "As", "VB_dir": 6.095940896343947, "VB_ind": 6.095940896343947}


unique_id: 448d7767085591906429715fc0da70fc
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ir", "anion": "O3", "combination": "ABO3", "CB_ind": 6.197465411960506, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.56, "CB_dir": 6.197465411960506, "gllbsc_dir_gap": 0.0, "standard_energy": 0.38167427214044025, "B_ion": "Re", "VB_dir": 6.197465411960506, "VB_ind": 6.197465411960506}


unique_id: d4d023605d428146957a8dbb076414a9
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Mn", "anion": "O3", "combination": "ABO3", "CB_ind": 5.475930310765266, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.0, "CB_dir": 5.475930310765266, "gllbsc_dir_gap": 0.0, "standard_energy": -2.381625385285424, "B_ion": "In", "VB_dir": 5.475930310765266, "VB_ind": 5.475930310765266}


unique_id: 13a58253558c82ebd666c499cb25c212
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ti", "anion": "O3", "combination": "ABO3", "CB_ind": 5.557779402176928, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.76, "CB_dir": 5.557779402176928, "gllbsc_dir_gap": 0.0, "standard_energy": -7.8056535863077015, "B_ion": "V", "VB_dir": 5.557779402176928, "VB_ind": 5.557779402176928}


unique_id: c0b37144b3d38e556f4c82fdbf83aa82
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ti", "anion": "O3", "combination": "ABO3", "CB_ind": 5.75883314870172, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.24, "CB_dir": 5.75883314870172, "gllbsc_dir_gap": 0.0, "standard_energy": -5.003892595865227, "B_ion": "Sn", "VB_dir": 5.75883314870172, "VB_ind": 5.75883314870172}


unique_id: 6438c2c30066d3e36d35c368e230ae34
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "As", "anion": "O3", "combination": "ABO3", "CB_ind": 5.593649280914839, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.82, "CB_dir": 5.593649280914839, "gllbsc_dir_gap": 0.0, "standard_energy": 6.584149878324315, "B_ion": "K", "VB_dir": 5.593649280914839, "VB_ind": 5.593649280914839}


unique_id: f40f9448718b883c5e840371f459482d
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Pt", "anion": "O3", "combination": "ABO3", "CB_ind": 6.6745050162164095, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.84, "CB_dir": 6.6745050162164095, "gllbsc_dir_gap": 0.0, "standard_energy": 1.8408161428591043, "B_ion": "Pt", "VB_dir": 6.6745050162164095, "VB_ind": 6.6745050162164095}


unique_id: daa03c0b64745b0c3458e63984753c9a
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ge", "anion": "O3", "combination": "ABO3", "CB_ind": 4.549893367727062, "gllbsc_ind_gap": 3.1, "heat_of_formation_all": 0.46, "CB_dir": 4.259893367727062, "gllbsc_dir_gap": 3.7, "standard_energy": -5.050024367933572, "B_ion": "Sn", "VB_dir": 7.939893367727062, "VB_ind": 7.649893367727062}


unique_id: 49b60c03dddd0f6fbc0981b9f6c748d1
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Al", "anion": "O3", "combination": "ABO3", "CB_ind": 5.9187931991893, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.28, "CB_dir": 5.9187931991893, "gllbsc_dir_gap": 0.0, "standard_energy": -4.251854300825224, "B_ion": "As", "VB_dir": 5.9187931991893, "VB_ind": 5.9187931991893}


unique_id: 5f155337e9da249ef818e4fd18ab1558
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Mg", "anion": "O3", "combination": "ABO3", "CB_ind": 5.567144995961406, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.9, "CB_dir": 5.567144995961406, "gllbsc_dir_gap": 0.0, "standard_energy": -9.615518159801708, "B_ion": "Sc", "VB_dir": 5.567144995961406, "VB_ind": 5.567144995961406}


unique_id: 7319bc239fada2c7097693c2a1276967
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Hf", "anion": "O3", "combination": "ABO3", "CB_ind": 5.12142638657419, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.68, "CB_dir": 5.12142638657419, "gllbsc_dir_gap": 0.0, "standard_energy": -4.270427088941558, "B_ion": "K", "VB_dir": 5.12142638657419, "VB_ind": 5.12142638657419}


unique_id: 72791ea2fb2650c02e60f9cae099d780
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ge", "anion": "O3", "combination": "ABO3", "CB_ind": 6.099893367727062, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.04, "CB_dir": 6.099893367727062, "gllbsc_dir_gap": 0.0, "standard_energy": -2.161823774328072, "B_ion": "Rh", "VB_dir": 6.099893367727062, "VB_ind": 6.099893367727062}


unique_id: 2cf407016f0191e848be3bafddab9807
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Zn", "anion": "O3", "combination": "ABO3", "CB_ind": 6.002134998781816, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.06, "CB_dir": 6.002134998781816, "gllbsc_dir_gap": 0.0, "standard_energy": -8.450477402301827, "B_ion": "Ta", "VB_dir": 6.002134998781816, "VB_ind": 6.002134998781816}


unique_id: c2cd9453d72f1fea4c8e76c40c66372f
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Tl", "anion": "O3", "combination": "ABO3", "CB_ind": 5.568786611465996, "gllbsc_ind_gap": 1.3, "heat_of_formation_all": 0.0, "CB_dir": 5.568786611465996, "gllbsc_dir_gap": 1.3, "standard_energy": -8.75063075216668, "B_ion": "Nb", "VB_dir": 6.888786611465997, "VB_ind": 6.888786611465997}


unique_id: f2a97fb663ee066b9fe34e7cd1a2df6d
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ru", "anion": "O3", "combination": "ABO3", "CB_ind": 6.0037789691732755, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.26, "CB_dir": 6.0037789691732755, "gllbsc_dir_gap": 0.0, "standard_energy": -1.0556760744648663, "B_ion": "Fe", "VB_dir": 6.0037789691732755, "VB_ind": 6.0037789691732755}


unique_id: e4a1236bf7cd4f446e9b1b71eb3180bb
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Sc", "anion": "O3", "combination": "ABO3", "CB_ind": 5.4623202010690255, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.36, "CB_dir": 5.4623202010690255, "gllbsc_dir_gap": 0.0, "standard_energy": -14.249467469869694, "B_ion": "Hf", "VB_dir": 5.4623202010690255, "VB_ind": 5.4623202010690255}


unique_id: 34c82f56b8f3363f076703f5e915bc95
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Si", "anion": "O3", "combination": "ABO3", "CB_ind": 6.1201517491974045, "gllbsc_ind_gap": 0.2, "heat_of_formation_all": 1.16, "CB_dir": 5.165151749197404, "gllbsc_dir_gap": 2.1, "standard_energy": -4.514628704498326, "B_ion": "Ge", "VB_dir": 7.285151749197405, "VB_ind": 6.330151749197405}


unique_id: 68f7f9e4cbe333e1884c1e603b67d320
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Au", "anion": "O3", "combination": "ABO3", "CB_ind": 6.016475382073426, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.36, "CB_dir": 6.016475382073426, "gllbsc_dir_gap": 0.0, "standard_energy": -0.915611478370522, "B_ion": "Ga", "VB_dir": 6.016475382073426, "VB_ind": 6.016475382073426}


unique_id: c6b1a860b2949fe350e5e8db26e5edea
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Sr", "anion": "O3", "combination": "ABO3", "CB_ind": 4.603053875657835, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.68, "CB_dir": 4.603053875657835, "gllbsc_dir_gap": 0.0, "standard_energy": -1.8158180004943087, "B_ion": "K", "VB_dir": 4.603053875657835, "VB_ind": 4.603053875657835}


unique_id: 2aaf4e33044fceaef75f98643de946ae
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "La", "anion": "O3", "combination": "ABO3", "CB_ind": 5.554374336784819, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.06, "CB_dir": 5.554374336784819, "gllbsc_dir_gap": 0.0, "standard_energy": -11.953300653360369, "B_ion": "Ta", "VB_dir": 5.554374336784819, "VB_ind": 5.554374336784819}


unique_id: 9a3384e0e9873b0bb9ae4a4a47dcc5a3
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Cu", "anion": "O3", "combination": "ABO3", "CB_ind": 6.123152717067377, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.34, "CB_dir": 6.123152717067377, "gllbsc_dir_gap": 0.0, "standard_energy": -0.6529828003060825, "B_ion": "Ru", "VB_dir": 6.123152717067377, "VB_ind": 6.123152717067377}


unique_id: 2ffb03340e3823b330c9a8753320ef5f
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Be", "anion": "O3", "combination": "ABO3", "CB_ind": 5.786134710379294, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.12, "CB_dir": 5.786134710379294, "gllbsc_dir_gap": 0.0, "standard_energy": 0.5503975214347041, "B_ion": "In", "VB_dir": 5.786134710379294, "VB_ind": 5.786134710379294}


unique_id: 9f7cb24dfa2da38e95bade32f51fb74d
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Sr", "anion": "O3", "combination": "ABO3", "CB_ind": 5.1638863558351416, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.68, "CB_dir": 5.1638863558351416, "gllbsc_dir_gap": 0.0, "standard_energy": -6.678358437870971, "B_ion": "Rh", "VB_dir": 5.1638863558351416, "VB_ind": 5.1638863558351416}


unique_id: bda3da6cb14eb1c8e892bc31d18ea68b
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Hg", "anion": "O3", "combination": "ABO3", "CB_ind": 6.2934941314900605, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.74, "CB_dir": 6.2934941314900605, "gllbsc_dir_gap": 0.0, "standard_energy": 1.2815327828618002, "B_ion": "Cd", "VB_dir": 6.2934941314900605, "VB_ind": 6.2934941314900605}


unique_id: 374e943d54f24ded001c64b885ada873
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "V", "anion": "O3", "combination": "ABO3", "CB_ind": 5.478207679118199, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.54, "CB_dir": 5.478207679118199, "gllbsc_dir_gap": 0.0, "standard_energy": -8.632538899390156, "B_ion": "Al", "VB_dir": 5.478207679118199, "VB_ind": 5.478207679118199}


unique_id: b44b9e4a3fc3acad8035ce5a07ec82a3
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "V", "anion": "O3", "combination": "ABO3", "CB_ind": 5.755802059490667, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.36, "CB_dir": 5.755802059490667, "gllbsc_dir_gap": 0.0, "standard_energy": -1.3052578701543762, "B_ion": "Bi", "VB_dir": 5.755802059490667, "VB_ind": 5.755802059490667}


unique_id: d9adc11ad4e56df4690184fd5b9f84fe
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Sb", "anion": "O3", "combination": "ABO3", "CB_ind": 5.740353431276998, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.1, "CB_dir": 5.740353431276998, "gllbsc_dir_gap": 0.0, "standard_energy": -3.268684232874384, "B_ion": "Li", "VB_dir": 5.740353431276998, "VB_ind": 5.740353431276998}


unique_id: 397de6036fbc4628a470d9c8f9ba465c
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "La", "anion": "O3", "combination": "ABO3", "CB_ind": 5.641039224367348, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.78, "CB_dir": 5.641039224367348, "gllbsc_dir_gap": 0.0, "standard_energy": -7.6090085007151975, "B_ion": "Cd", "VB_dir": 5.641039224367348, "VB_ind": 5.641039224367348}


unique_id: c44c13ca3823637eca354ebddafa203a
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "B", "anion": "O3", "combination": "ABO3", "CB_ind": 5.4726213822976675, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 3.22, "CB_dir": 5.4726213822976675, "gllbsc_dir_gap": 0.0, "standard_energy": 4.3817206959413735, "B_ion": "Ba", "VB_dir": 5.4726213822976675, "VB_ind": 5.4726213822976675}


unique_id: a1005798cb3be9e66e91218ad3ba857a
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ir", "anion": "O3", "combination": "ABO3", "CB_ind": 6.43774225207035, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.74, "CB_dir": 6.43774225207035, "gllbsc_dir_gap": 0.0, "standard_energy": 1.3182070393913783, "B_ion": "Sb", "VB_dir": 6.43774225207035, "VB_ind": 6.43774225207035}


unique_id: 66c1d71bec70189825c089575bcdf1ea
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Fe", "anion": "O3", "combination": "ABO3", "CB_ind": 5.203154581212369, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.58, "CB_dir": 5.203154581212369, "gllbsc_dir_gap": 0.0, "standard_energy": 2.413139123464145, "B_ion": "Ca", "VB_dir": 5.203154581212369, "VB_ind": 5.203154581212369}


unique_id: 3c793d53cb2e6de4cdae8e10122e339b
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Mg", "anion": "O3", "combination": "ABO3", "CB_ind": 5.800160489805088, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.38, "CB_dir": 5.800160489805088, "gllbsc_dir_gap": 0.0, "standard_energy": -9.99188571800178, "B_ion": "Ta", "VB_dir": 5.800160489805088, "VB_ind": 5.800160489805088}


unique_id: 50caa818d7357b29ddda926351d03e04
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Hg", "anion": "O3", "combination": "ABO3", "CB_ind": 5.900816274159133, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.96, "CB_dir": 5.900816274159133, "gllbsc_dir_gap": 0.0, "standard_energy": -5.8352275475696604, "B_ion": "Al", "VB_dir": 5.900816274159133, "VB_ind": 5.900816274159133}


unique_id: 17e84eaa2276fa886fcc0de1a6d2a3e7
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Al", "anion": "O3", "combination": "ABO3", "CB_ind": 5.347319438830794, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.24, "CB_dir": 5.347319438830794, "gllbsc_dir_gap": 0.0, "standard_energy": -9.546218476401956, "B_ion": "Y", "VB_dir": 5.347319438830794, "VB_ind": 5.347319438830794}


unique_id: efd33049fe039772ee01fb594ec1fa25
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ni", "anion": "O3", "combination": "ABO3", "CB_ind": 6.128004666673821, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.74, "CB_dir": 6.128004666673821, "gllbsc_dir_gap": 0.0, "standard_energy": -3.6327931644800824, "B_ion": "Ge", "VB_dir": 6.128004666673821, "VB_ind": 6.128004666673821}


unique_id: d640971b492afb005b1f7cf1cfa0563a
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Pb", "anion": "O3", "combination": "ABO3", "CB_ind": 5.939349857879042, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.0, "CB_dir": 5.939349857879042, "gllbsc_dir_gap": 0.0, "standard_energy": -2.543306679724191, "B_ion": "Zn", "VB_dir": 5.939349857879042, "VB_ind": 5.939349857879042}


unique_id: f6e33098a0be717b891be1990e725cb4
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Cr", "anion": "O3", "combination": "ABO3", "CB_ind": 6.200414687209265, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.44, "CB_dir": 6.200414687209265, "gllbsc_dir_gap": 0.0, "standard_energy": -0.2067114781375725, "B_ion": "Au", "VB_dir": 6.200414687209265, "VB_ind": 6.200414687209265}


unique_id: 26bc9771a4b6771723d3ae5fb2c2a879
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "W", "anion": "O3", "combination": "ABO3", "CB_ind": 6.0459035154041585, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.18, "CB_dir": 6.0459035154041585, "gllbsc_dir_gap": 0.0, "standard_energy": -1.4864940128709687, "B_ion": "Sn", "VB_dir": 6.0459035154041585, "VB_ind": 6.0459035154041585}


unique_id: 5fce476f605f9b5c29909a4b26ff4677
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ca", "anion": "O3", "combination": "ABO3", "CB_ind": 5.311339038904116, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.66, "CB_dir": 5.311339038904116, "gllbsc_dir_gap": 0.0, "standard_energy": -7.12865327421723, "B_ion": "Ru", "VB_dir": 5.311339038904116, "VB_ind": 5.311339038904116}


unique_id: 5e79dbc96bbfc4f115b0ad62c5934dc7
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Sn", "anion": "O3", "combination": "ABO3", "CB_ind": 5.721632638775504, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.52, "CB_dir": 5.721632638775504, "gllbsc_dir_gap": 0.0, "standard_energy": -9.644448188567443, "B_ion": "Sc", "VB_dir": 5.721632638775504, "VB_ind": 5.721632638775504}


unique_id: 721bd72a2343e660dc31e708db30be13
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Pb", "anion": "O3", "combination": "ABO3", "CB_ind": 6.131983909545765, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.38, "CB_dir": 6.131983909545765, "gllbsc_dir_gap": 0.0, "standard_energy": -0.4742700504632875, "B_ion": "Hg", "VB_dir": 6.131983909545765, "VB_ind": 6.131983909545765}


unique_id: c2638c720e323fb2fe45597be7f5f943
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ga", "anion": "O3", "combination": "ABO3", "CB_ind": 4.867578683267178, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.28, "CB_dir": 4.867578683267178, "gllbsc_dir_gap": 0.0, "standard_energy": -3.984849108461578, "B_ion": "Sr", "VB_dir": 4.867578683267178, "VB_ind": 4.867578683267178}


unique_id: ba4a3e196b900f1a10b74fbbfa7c9b39
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "W", "anion": "O3", "combination": "ABO3", "CB_ind": 5.662912611741364, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.1, "CB_dir": 5.662912611741364, "gllbsc_dir_gap": 0.0, "standard_energy": -1.8771608635448422, "B_ion": "In", "VB_dir": 5.662912611741364, "VB_ind": 5.662912611741364}


unique_id: 84977a92b9a2df3f5f49d1604c1fd1e1
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ni", "anion": "O3", "combination": "ABO3", "CB_ind": 6.0459035154041585, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.4, "CB_dir": 6.0459035154041585, "gllbsc_dir_gap": 0.0, "standard_energy": -0.38909421939918865, "B_ion": "Co", "VB_dir": 6.0459035154041585, "VB_ind": 6.0459035154041585}


unique_id: 5dbd3c20b83af7cbfc89e31ed78bdf91
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Au", "anion": "O3", "combination": "ABO3", "CB_ind": 6.093446805005459, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.0, "CB_dir": 6.093446805005459, "gllbsc_dir_gap": 0.0, "standard_energy": -7.559639920684797, "B_ion": "Hf", "VB_dir": 6.093446805005459, "VB_ind": 6.093446805005459}


unique_id: e16ad565f6bd325f7f36c1c97661af1b
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Pd", "anion": "O3", "combination": "ABO3", "CB_ind": 6.141869072400477, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.04, "CB_dir": 6.141869072400477, "gllbsc_dir_gap": 0.0, "standard_energy": -2.1765570568640014, "B_ion": "Ge", "VB_dir": 6.141869072400477, "VB_ind": 6.141869072400477}


unique_id: 8fa0880d28115c9754c98bf6413275ea
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Na", "anion": "O3", "combination": "ABO3", "CB_ind": 4.847641490319869, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.5, "CB_dir": 4.847641490319869, "gllbsc_dir_gap": 0.0, "standard_energy": -3.4458039914718785, "B_ion": "Ca", "VB_dir": 4.847641490319869, "VB_ind": 4.847641490319869}


unique_id: 32c3eda0fbcf28a4e11d3933be8822ac
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Pd", "anion": "O3", "combination": "ABO3", "CB_ind": 5.784953384288482, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.94, "CB_dir": 5.784953384288482, "gllbsc_dir_gap": 0.0, "standard_energy": -7.848193168172911, "B_ion": "Hf", "VB_dir": 5.784953384288482, "VB_ind": 5.784953384288482}


unique_id: b63b048ec137abc2811e9f92a8ce98e2
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Sc", "anion": "O3", "combination": "ABO3", "CB_ind": 5.610986198882042, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.88, "CB_dir": 5.610986198882042, "gllbsc_dir_gap": 0.0, "standard_energy": -7.823113906158975, "B_ion": "Mo", "VB_dir": 5.610986198882042, "VB_ind": 5.610986198882042}


unique_id: c0d6df6ce42304bfe80dae73da331ffa
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ba", "anion": "O3", "combination": "ABO3", "CB_ind": 5.205389574071544, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.22, "CB_dir": 5.205389574071544, "gllbsc_dir_gap": 0.0, "standard_energy": -13.326980675613838, "B_ion": "Sc", "VB_dir": 5.205389574071544, "VB_ind": 5.205389574071544}


unique_id: 62920c0f8be8ee33252dae58246937c7
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Fe", "anion": "O3", "combination": "ABO3", "CB_ind": 5.893034230745451, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.32, "CB_dir": 5.893034230745451, "gllbsc_dir_gap": 0.0, "standard_energy": -7.072610585838367, "B_ion": "Ta", "VB_dir": 5.893034230745451, "VB_ind": 5.893034230745451}


unique_id: 7a7ddf15ea8f73f94d16e2b3b652f976
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Cu", "anion": "O3", "combination": "ABO3", "CB_ind": 5.947336462077832, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.26, "CB_dir": 5.947336462077832, "gllbsc_dir_gap": 0.0, "standard_energy": -1.083086775448594, "B_ion": "Pb", "VB_dir": 5.947336462077832, "VB_ind": 5.947336462077832}


unique_id: 48136e65b85fa270af03fd67272b194d
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Co", "anion": "O3", "combination": "ABO3", "CB_ind": 6.28461862632758, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.4, "CB_dir": 6.28461862632758, "gllbsc_dir_gap": 0.0, "standard_energy": -0.40249961404331636, "B_ion": "Ir", "VB_dir": 6.28461862632758, "VB_ind": 6.28461862632758}


unique_id: 9acee0e7cf7253f50aca821135cbea23
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ru", "anion": "O3", "combination": "ABO3", "CB_ind": 6.114930011405475, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.48, "CB_dir": 6.114930011405475, "gllbsc_dir_gap": 0.0, "standard_energy": -0.22524939316341985, "B_ion": "Zn", "VB_dir": 6.114930011405475, "VB_ind": 6.114930011405475}


unique_id: bd93312a23754cca97055e39c2615995
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Cs", "anion": "O3", "combination": "ABO3", "CB_ind": 5.258471201455167, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.52, "CB_dir": 5.258471201455167, "gllbsc_dir_gap": 0.0, "standard_energy": -4.775025347042368, "B_ion": "Sn", "VB_dir": 5.258471201455167, "VB_ind": 5.258471201455167}


unique_id: 511b1da45f3a38837e70140f98ac4790
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Os", "anion": "O3", "combination": "ABO3", "CB_ind": 5.617792789548379, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.0, "CB_dir": 5.617792789548379, "gllbsc_dir_gap": 0.0, "standard_energy": 0.4217058794114177, "B_ion": "Ba", "VB_dir": 5.617792789548379, "VB_ind": 5.617792789548379}


unique_id: 2646920d9314b3187c37445db6a6b3a0
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Sn", "anion": "O3", "combination": "ABO3", "CB_ind": 6.337846490087024, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.1, "CB_dir": 6.337846490087024, "gllbsc_dir_gap": 0.0, "standard_energy": -1.8428341243305528, "B_ion": "Pt", "VB_dir": 6.337846490087024, "VB_ind": 6.337846490087024}


unique_id: e011a6d6c7e2a957251ccad384136bd8
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ti", "anion": "O3", "combination": "ABO3", "CB_ind": 5.6761361360761535, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.82, "CB_dir": 5.6761361360761535, "gllbsc_dir_gap": 0.0, "standard_energy": -7.814611113996764, "B_ion": "Nb", "VB_dir": 5.6761361360761535, "VB_ind": 5.6761361360761535}


unique_id: b38de68ecb27d8bd9efda948ceb7a4ce
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Cs", "anion": "O3", "combination": "ABO3", "CB_ind": 5.577004196969295, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.56, "CB_dir": 5.577004196969295, "gllbsc_dir_gap": 0.0, "standard_energy": 0.4347832727807255, "B_ion": "Au", "VB_dir": 5.577004196969295, "VB_ind": 5.577004196969295}


unique_id: 9f46d725862c197bc1c0b91dd103bf03
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Pb", "anion": "O3", "combination": "ABO3", "CB_ind": 5.061426156637136, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.34, "CB_dir": 5.061426156637136, "gllbsc_dir_gap": 0.0, "standard_energy": -3.3169117809813446, "B_ion": "Sr", "VB_dir": 5.061426156637136, "VB_ind": 5.061426156637136}


unique_id: 82ec9bd61526854c1ad90a3a5b549f4c
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Co", "anion": "O3", "combination": "ABO3", "CB_ind": 5.961114286169919, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.42, "CB_dir": 5.961114286169919, "gllbsc_dir_gap": 0.0, "standard_energy": -6.6171667816762465, "B_ion": "Ta", "VB_dir": 5.961114286169919, "VB_ind": 5.961114286169919}


unique_id: 303895c997b9b2e13c53a919e50bdfa8
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Tl", "anion": "O3", "combination": "ABO3", "CB_ind": 6.348658840495298, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.12, "CB_dir": 6.348658840495298, "gllbsc_dir_gap": 0.0, "standard_energy": -6.767979325139956, "B_ion": "W", "VB_dir": 6.348658840495298, "VB_ind": 6.348658840495298}


unique_id: 74b8a2791cbcdff6c5a82acdd604b575
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Zn", "anion": "O3", "combination": "ABO3", "CB_ind": 5.71544426995953, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.82, "CB_dir": 5.71544426995953, "gllbsc_dir_gap": 0.0, "standard_energy": -6.80573450538556, "B_ion": "Al", "VB_dir": 5.71544426995953, "VB_ind": 5.71544426995953}


unique_id: a7f1ddff00ef725c64d34ef92580ea65
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Li", "anion": "O3", "combination": "ABO3", "CB_ind": 5.362336997458943, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.4, "CB_dir": 5.362336997458943, "gllbsc_dir_gap": 0.0, "standard_energy": -10.530352439110318, "B_ion": "Ti", "VB_dir": 5.362336997458943, "VB_ind": 5.362336997458943}


unique_id: 9e98efe500b5e51a2f04d1f71ed56b9b
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Pb", "anion": "O3", "combination": "ABO3", "CB_ind": 5.563753909612948, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.52, "CB_dir": 5.563753909612948, "gllbsc_dir_gap": 0.0, "standard_energy": -8.09409161798604, "B_ion": "Al", "VB_dir": 5.563753909612948, "VB_ind": 5.563753909612948}


unique_id: 5f25e955de733467648a1842b24373b8
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Li", "anion": "O3", "combination": "ABO3", "CB_ind": 4.896425012763628, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.1, "CB_dir": 4.896425012763628, "gllbsc_dir_gap": 0.0, "standard_energy": 1.781794127158688, "B_ion": "Cs", "VB_dir": 4.896425012763628, "VB_ind": 4.896425012763628}


unique_id: 87ffe1cd8a771f467e44ebb5f07b05a6
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Au", "anion": "O3", "combination": "ABO3", "CB_ind": 5.981064626687667, "gllbsc_ind_gap": 0.6, "heat_of_formation_all": 0.54, "CB_dir": 5.446064626687667, "gllbsc_dir_gap": 1.7, "standard_energy": -6.090017666419579, "B_ion": "Nb", "VB_dir": 7.136064626687666, "VB_ind": 6.601064626687666}


unique_id: fe0b65d8aed2ebe77d737a2dc9c1d02f
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Zr", "anion": "O3", "combination": "ABO3", "CB_ind": 5.086113943862875, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 3.12, "CB_dir": 5.086113943862875, "gllbsc_dir_gap": 0.0, "standard_energy": 3.5363309346917022, "B_ion": "Cs", "VB_dir": 5.086113943862875, "VB_ind": 5.086113943862875}


unique_id: a70c43d8b62a950647c997cbf41a1a08
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "La", "anion": "O3", "combination": "ABO3", "CB_ind": 5.646123540172043, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.72, "CB_dir": 5.646123540172043, "gllbsc_dir_gap": 0.0, "standard_energy": -7.870951849944647, "B_ion": "Pd", "VB_dir": 5.646123540172043, "VB_ind": 5.646123540172043}


unique_id: 2ebd812d403608ed36660cea41a9b55f
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ca", "anion": "O3", "combination": "ABO3", "CB_ind": 5.306609432968381, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.96, "CB_dir": 5.306609432968381, "gllbsc_dir_gap": 0.0, "standard_energy": -5.710216213214165, "B_ion": "Cu", "VB_dir": 5.306609432968381, "VB_ind": 5.306609432968381}


unique_id: 54d496de9a476e775264c4c5878001f7
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Si", "anion": "O3", "combination": "ABO3", "CB_ind": 6.083522905834628, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.84, "CB_dir": 6.083522905834628, "gllbsc_dir_gap": 0.0, "standard_energy": -6.655258724006874, "B_ion": "Ta", "VB_dir": 6.083522905834628, "VB_ind": 6.083522905834628}


unique_id: a2d845c20dcf918d7221cc976e766093
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Re", "anion": "O3", "combination": "ABO3", "CB_ind": 5.93471067478779, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.28, "CB_dir": 5.93471067478779, "gllbsc_dir_gap": 0.0, "standard_energy": -0.9945557618793668, "B_ion": "Sn", "VB_dir": 5.93471067478779, "VB_ind": 5.93471067478779}


unique_id: cc9e67da1a6456c62e7fc6847db1238b
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Re", "anion": "O3", "combination": "ABO3", "CB_ind": 5.975549694027873, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.38, "CB_dir": 5.975549694027873, "gllbsc_dir_gap": 0.0, "standard_energy": -0.6483504757052465, "B_ion": "Zn", "VB_dir": 5.975549694027873, "VB_ind": 5.975549694027873}


unique_id: 2e7a0bbb1d5015bbbeed0f20895d519a
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Rb", "anion": "O3", "combination": "ABO3", "CB_ind": 5.438029356575123, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.78, "CB_dir": 5.438029356575123, "gllbsc_dir_gap": 0.0, "standard_energy": -6.404091949552666, "B_ion": "Si", "VB_dir": 5.438029356575123, "VB_ind": 5.438029356575123}


unique_id: 1e902d5b5cfb5771056f2cacce7102dd
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Cd", "anion": "O3", "combination": "ABO3", "CB_ind": 5.855689063844476, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.36, "CB_dir": 5.855689063844476, "gllbsc_dir_gap": 0.0, "standard_energy": -10.248506235901663, "B_ion": "Zr", "VB_dir": 5.855689063844476, "VB_ind": 5.855689063844476}


unique_id: a54c3f3d04a72797d959338b2480ee64
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Mo", "anion": "O3", "combination": "ABO3", "CB_ind": 6.057997965314859, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.86, "CB_dir": 6.057997965314859, "gllbsc_dir_gap": 0.0, "standard_energy": -5.8035931476076446, "B_ion": "Be", "VB_dir": 6.057997965314859, "VB_ind": 6.057997965314859}


unique_id: df172db1de910bf4fcfe8b43fa5175f6
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ru", "anion": "O3", "combination": "ABO3", "CB_ind": 5.7246571798788, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.28, "CB_dir": 5.7246571798788, "gllbsc_dir_gap": 0.0, "standard_energy": -1.2959192173199945, "B_ion": "Ga", "VB_dir": 5.7246571798788, "VB_ind": 5.7246571798788}


unique_id: 29b1daff20707cacdd159ed7d0560b6f
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Pb", "anion": "O3", "combination": "ABO3", "CB_ind": 5.845683129815952, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.6, "CB_dir": 5.845683129815952, "gllbsc_dir_gap": 0.0, "standard_energy": -4.3787772293348635, "B_ion": "Bi", "VB_dir": 5.845683129815952, "VB_ind": 5.845683129815952}


unique_id: adb3358595abdda647282de03373380a
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Hf", "anion": "O3", "combination": "ABO3", "CB_ind": 5.497834731569103, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.84, "CB_dir": 5.497834731569103, "gllbsc_dir_gap": 0.0, "standard_energy": -10.191265208258407, "B_ion": "Ti", "VB_dir": 5.497834731569103, "VB_ind": 5.497834731569103}


unique_id: 8eaa8e7f66291ef93414f38d51755598
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Mg", "anion": "O3", "combination": "ABO3", "CB_ind": 5.89066037806083, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.52, "CB_dir": 5.89066037806083, "gllbsc_dir_gap": 0.0, "standard_energy": -1.6235868919296874, "B_ion": "Cd", "VB_dir": 5.89066037806083, "VB_ind": 5.89066037806083}


unique_id: 82a4b005ca5264adc50103f9fb89c443
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Os", "anion": "O3", "combination": "ABO3", "CB_ind": 6.48415258986662, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.78, "CB_dir": 6.48415258986662, "gllbsc_dir_gap": 0.0, "standard_energy": 1.4731195809365953, "B_ion": "Te", "VB_dir": 6.48415258986662, "VB_ind": 6.48415258986662}


unique_id: 508f01b279f773ecd3a75affa7531854
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Al", "anion": "O3", "combination": "ABO3", "CB_ind": 5.594869878461361, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.84, "CB_dir": 5.594869878461361, "gllbsc_dir_gap": 0.0, "standard_energy": -7.504868262130552, "B_ion": "Nb", "VB_dir": 5.594869878461361, "VB_ind": 5.594869878461361}


unique_id: 4d00b73e292aefdc657f3289ad759811
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Be", "anion": "O3", "combination": "ABO3", "CB_ind": 6.2059280621346815, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.26, "CB_dir": 6.2059280621346815, "gllbsc_dir_gap": 0.0, "standard_energy": -3.8286985060195313, "B_ion": "W", "VB_dir": 6.2059280621346815, "VB_ind": 6.2059280621346815}


unique_id: b99f2613f6b5b9d430ad9587bf92e80a
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ca", "anion": "O3", "combination": "ABO3", "CB_ind": 5.391503228484131, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.38, "CB_dir": 5.391503228484131, "gllbsc_dir_gap": 0.0, "standard_energy": -8.566124427772719, "B_ion": "Sb", "VB_dir": 5.391503228484131, "VB_ind": 5.391503228484131}


unique_id: e11e3fdb25f2c26a9952c335db0a933b
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Sr", "anion": "O3", "combination": "ABO3", "CB_ind": 5.476689854495269, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.12, "CB_dir": 5.476689854495269, "gllbsc_dir_gap": 0.0, "standard_energy": -4.44301449512035, "B_ion": "Au", "VB_dir": 5.476689854495269, "VB_ind": 5.476689854495269}


unique_id: 379398b936e680f4b442a64e13a2de38
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Rb", "anion": "O3", "combination": "ABO3", "CB_ind": 5.0259847173041425, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.78, "CB_dir": 5.0259847173041425, "gllbsc_dir_gap": 0.0, "standard_energy": -6.751307527234091, "B_ion": "Al", "VB_dir": 5.0259847173041425, "VB_ind": 5.0259847173041425}


unique_id: a0fc1d440863fad711be6ae93a9cdca6
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Be", "anion": "O3", "combination": "ABO3", "CB_ind": 6.106908435944557, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.0, "CB_dir": 6.106908435944557, "gllbsc_dir_gap": 0.0, "standard_energy": -5.112164091637412, "B_ion": "Fe", "VB_dir": 6.106908435944557, "VB_ind": 6.106908435944557}


unique_id: 29e246e6999373ace48dcd9c96afefcb
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Sb", "anion": "O3", "combination": "ABO3", "CB_ind": 5.391503228484131, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.52, "CB_dir": 5.391503228484131, "gllbsc_dir_gap": 0.0, "standard_energy": -2.855293512987439, "B_ion": "Ca", "VB_dir": 5.391503228484131, "VB_ind": 5.391503228484131}


unique_id: 32fd3c86fd534dc5205c35c7625188e4
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Li", "anion": "O3", "combination": "ABO3", "CB_ind": 5.603817407306885, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.96, "CB_dir": 5.603817407306885, "gllbsc_dir_gap": 0.0, "standard_energy": -3.926787197935151, "B_ion": "Co", "VB_dir": 5.603817407306885, "VB_ind": 5.603817407306885}


unique_id: 227b24400fad0c8d6494860275dd0e75
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "W", "anion": "O3", "combination": "ABO3", "CB_ind": 5.389278092262282, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.66, "CB_dir": 5.389278092262282, "gllbsc_dir_gap": 0.0, "standard_energy": 0.8267078689306864, "B_ion": "K", "VB_dir": 5.389278092262282, "VB_ind": 5.389278092262282}


unique_id: e975a0325b047efc437b5f939a13487a
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Au", "anion": "O3", "combination": "ABO3", "CB_ind": 6.412135388428043, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.72, "CB_dir": 6.412135388428043, "gllbsc_dir_gap": 0.0, "standard_energy": 1.2576551320353015, "B_ion": "Ni", "VB_dir": 6.412135388428043, "VB_ind": 6.412135388428043}


unique_id: 3755f3a1c4dfd9ed42ca53259086d498
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Cd", "anion": "O3", "combination": "ABO3", "CB_ind": 6.214367705382023, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.26, "CB_dir": 6.214367705382023, "gllbsc_dir_gap": 0.0, "standard_energy": -3.7548828710612914, "B_ion": "Be", "VB_dir": 6.214367705382023, "VB_ind": 6.214367705382023}


unique_id: 97a80e6b0d882f561c44a16c483f00d6
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "W", "anion": "O3", "combination": "ABO3", "CB_ind": 6.348658840495298, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.52, "CB_dir": 6.348658840495298, "gllbsc_dir_gap": 0.0, "standard_energy": 0.24410331263547747, "B_ion": "Te", "VB_dir": 6.348658840495298, "VB_ind": 6.348658840495298}


unique_id: 5c46cbf29c34c5f6bb0d5d1c85374289
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Mo", "anion": "O3", "combination": "ABO3", "CB_ind": 5.733218520010463, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.76, "CB_dir": 5.733218520010463, "gllbsc_dir_gap": 0.0, "standard_energy": -3.62184487466393, "B_ion": "Cr", "VB_dir": 5.733218520010463, "VB_ind": 5.733218520010463}


unique_id: ffda9bcf568b48319eba6036d8217aa5
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "K", "anion": "O3", "combination": "ABO3", "CB_ind": 4.781929093595821, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.94, "CB_dir": 4.781929093595821, "gllbsc_dir_gap": 0.0, "standard_energy": 2.0515524295762386, "B_ion": "K", "VB_dir": 4.781929093595821, "VB_ind": 4.781929093595821}


unique_id: 1caa5ef55125f86d544936ef6c169cff
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Fe", "anion": "O3", "combination": "ABO3", "CB_ind": 5.94666742732888, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.18, "CB_dir": 5.94666742732888, "gllbsc_dir_gap": 0.0, "standard_energy": -3.5777612429066767, "B_ion": "B", "VB_dir": 5.94666742732888, "VB_ind": 5.94666742732888}


unique_id: 39285123e537d0d2d56caf3252e271d1
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Tl", "anion": "O3", "combination": "ABO3", "CB_ind": 6.371578782852008, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.36, "CB_dir": 6.371578782852008, "gllbsc_dir_gap": 0.0, "standard_energy": -0.5656003251187638, "B_ion": "Cu", "VB_dir": 6.371578782852008, "VB_ind": 6.371578782852008}


unique_id: 84d8a38007b1d8b35ed33278d695a859
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "La", "anion": "O3", "combination": "ABO3", "CB_ind": 5.527011555517078, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.16, "CB_dir": 5.527011555517078, "gllbsc_dir_gap": 0.0, "standard_energy": -11.77041663512237, "B_ion": "Nb", "VB_dir": 5.527011555517078, "VB_ind": 5.527011555517078}


unique_id: aa4eef13d408f8fa1abf39c9296667a7
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ti", "anion": "O3", "combination": "ABO3", "CB_ind": 5.795853491294747, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.22, "CB_dir": 5.795853491294747, "gllbsc_dir_gap": 0.0, "standard_energy": -0.06857606635471303, "B_ion": "Ag", "VB_dir": 5.795853491294747, "VB_ind": 5.795853491294747}


unique_id: 8a465b50e027a97e2b466cbf552f2765
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Cu", "anion": "O3", "combination": "ABO3", "CB_ind": 5.408734476094256, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.94, "CB_dir": 5.408734476094256, "gllbsc_dir_gap": 0.0, "standard_energy": 7.2282589661807854, "B_ion": "K", "VB_dir": 5.408734476094256, "VB_ind": 5.408734476094256}


unique_id: 8c22c2903ecd116aaf79b77b19e1b29c
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "B", "anion": "O3", "combination": "ABO3", "CB_ind": 6.253203247493608, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 3.36, "CB_dir": 6.253203247493608, "gllbsc_dir_gap": 0.0, "standard_energy": 7.298796275321509, "B_ion": "Hg", "VB_dir": 6.253203247493608, "VB_ind": 6.253203247493608}


unique_id: e1bfd25e809dc3f16fd98849a137bd1d
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Mo", "anion": "O3", "combination": "ABO3", "CB_ind": 5.5631388908304835, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.7, "CB_dir": 5.5631388908304835, "gllbsc_dir_gap": 0.0, "standard_energy": -4.234799386126301, "B_ion": "Ga", "VB_dir": 5.5631388908304835, "VB_ind": 5.5631388908304835}


unique_id: 2153d0972ec13217748b54fafefdc0a9
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Sn", "anion": "O3", "combination": "ABO3", "CB_ind": 5.636934852585309, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.82, "CB_dir": 5.636934852585309, "gllbsc_dir_gap": 0.0, "standard_energy": -3.3252630561819454, "B_ion": "In", "VB_dir": 5.636934852585309, "VB_ind": 5.636934852585309}


unique_id: 84a6ab44f9fa45b8826991618a8c8667
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "W", "anion": "O3", "combination": "ABO3", "CB_ind": 5.695418710266024, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.16, "CB_dir": 5.695418710266024, "gllbsc_dir_gap": 0.0, "standard_energy": -6.689250123573041, "B_ion": "Y", "VB_dir": 5.695418710266024, "VB_ind": 5.695418710266024}


unique_id: a7c9a221b9a6ee34b44dce746cb65da4
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ga", "anion": "O3", "combination": "ABO3", "CB_ind": 5.711878799766238, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.04, "CB_dir": 5.711878799766238, "gllbsc_dir_gap": 0.0, "standard_energy": -2.705945941463508, "B_ion": "Zn", "VB_dir": 5.711878799766238, "VB_ind": 5.711878799766238}


unique_id: 5a753f225b0bed422c151882fa60c327
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Nb", "anion": "O3", "combination": "ABO3", "CB_ind": 5.9317477623394606, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.9, "CB_dir": 5.9317477623394606, "gllbsc_dir_gap": 0.0, "standard_energy": -4.199355534663466, "B_ion": "Sn", "VB_dir": 5.9317477623394606, "VB_ind": 5.9317477623394606}


unique_id: 466ee1162dcaabbae575a1c19d1cfbe4
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Au", "anion": "O3", "combination": "ABO3", "CB_ind": 6.721762870010804, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.9, "CB_dir": 6.721762870010804, "gllbsc_dir_gap": 0.0, "standard_energy": 2.1683779321554217, "B_ion": "Pt", "VB_dir": 6.721762870010804, "VB_ind": 6.721762870010804}


unique_id: d63cb628331863f0e7fd5f1429b12d82
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Y", "anion": "O3", "combination": "ABO3", "CB_ind": 5.695418710266024, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.64, "CB_dir": 5.695418710266024, "gllbsc_dir_gap": 0.0, "standard_energy": -9.254693549761404, "B_ion": "Ni", "VB_dir": 5.695418710266024, "VB_ind": 5.695418710266024}


unique_id: 52a27ce5eb9b54a3409a0db336608b8b
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "W", "anion": "O3", "combination": "ABO3", "CB_ind": 5.568477805545808, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.42, "CB_dir": 5.568477805545808, "gllbsc_dir_gap": 0.0, "standard_energy": -0.7658743920494899, "B_ion": "Na", "VB_dir": 5.568477805545808, "VB_ind": 5.568477805545808}


unique_id: 722f67f93968409104179e06ea11d1ef
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Cu", "anion": "O3", "combination": "ABO3", "CB_ind": 5.998432763924194, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.1, "CB_dir": 5.998432763924194, "gllbsc_dir_gap": 0.0, "standard_energy": -1.8612330245121136, "B_ion": "Fe", "VB_dir": 5.998432763924194, "VB_ind": 5.998432763924194}


unique_id: b97e94ea97281400f0ece106f78862f0
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Cu", "anion": "O3", "combination": "ABO3", "CB_ind": 6.192328381202305, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.9, "CB_dir": 6.192328381202305, "gllbsc_dir_gap": 0.0, "standard_energy": -5.8116960997767055, "B_ion": "Si", "VB_dir": 6.192328381202305, "VB_ind": 6.192328381202305}


unique_id: 482db1a1fe45c2476cb46fb8e54ce4b6
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Mg", "anion": "O3", "combination": "ABO3", "CB_ind": 5.688422260027822, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.16, "CB_dir": 5.688422260027822, "gllbsc_dir_gap": 0.0, "standard_energy": -8.505410970328478, "B_ion": "Mn", "VB_dir": 5.688422260027822, "VB_ind": 5.688422260027822}


unique_id: 9397956ff978f06ba9358a55b3cf73d0
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "In", "anion": "O3", "combination": "ABO3", "CB_ind": 5.316800086108201, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.46, "CB_dir": 5.316800086108201, "gllbsc_dir_gap": 0.0, "standard_energy": -8.377059163742793, "B_ion": "Al", "VB_dir": 5.316800086108201, "VB_ind": 5.316800086108201}


unique_id: 7f6e64417d5d3e9c2b06b694f5e92122
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ag", "anion": "O3", "combination": "ABO3", "CB_ind": 5.292274994752656, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.3, "CB_dir": 5.292274994752656, "gllbsc_dir_gap": 0.0, "standard_energy": 4.143204515633169, "B_ion": "Cs", "VB_dir": 5.292274994752656, "VB_ind": 5.292274994752656}


unique_id: b7b2a99ca69433db4bc7ae1b99b78df6
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "La", "anion": "O3", "combination": "ABO3", "CB_ind": 5.3658952865885015, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.02, "CB_dir": 5.3658952865885015, "gllbsc_dir_gap": 0.0, "standard_energy": -14.863130221944918, "B_ion": "Ti", "VB_dir": 5.3658952865885015, "VB_ind": 5.3658952865885015}


unique_id: 319b3a712fbf68a0c33002f0254ed4a3
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Bi", "anion": "O3", "combination": "ABO3", "CB_ind": 6.218713141425992, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.7, "CB_dir": 6.218713141425992, "gllbsc_dir_gap": 0.0, "standard_energy": -3.837200180625855, "B_ion": "As", "VB_dir": 6.218713141425992, "VB_ind": 6.218713141425992}


unique_id: ba6f6c16ddd0d70adec33c125335fde0
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Cu", "anion": "O3", "combination": "ABO3", "CB_ind": 6.013134981439188, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.4, "CB_dir": 6.013134981439188, "gllbsc_dir_gap": 0.0, "standard_energy": -0.3869660587225101, "B_ion": "Bi", "VB_dir": 6.013134981439188, "VB_ind": 6.013134981439188}


unique_id: 81c5599e3b0e8f1b5d4966086e4d1a3a
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "As", "anion": "O3", "combination": "ABO3", "CB_ind": 6.304094212899467, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.82, "CB_dir": 6.304094212899467, "gllbsc_dir_gap": 0.0, "standard_energy": -3.2890598930831025, "B_ion": "W", "VB_dir": 6.304094212899467, "VB_ind": 6.304094212899467}


unique_id: 59fa8ec9c9354368b8f23574b36537a2
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Si", "anion": "O3", "combination": "ABO3", "CB_ind": 6.449303947318698, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.92, "CB_dir": 6.449303947318698, "gllbsc_dir_gap": 0.0, "standard_energy": -0.7348240508881769, "B_ion": "Te", "VB_dir": 6.449303947318698, "VB_ind": 6.449303947318698}


unique_id: 53e24d5ad2d34bfce02dd7c5bd97a639
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ge", "anion": "O3", "combination": "ABO3", "CB_ind": 5.618204251496986, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.34, "CB_dir": 5.618204251496986, "gllbsc_dir_gap": 0.0, "standard_energy": -1.1662317122039365, "B_ion": "Na", "VB_dir": 5.618204251496986, "VB_ind": 5.618204251496986}


unique_id: 7cc759c3d90fd384f9817b59c2724ad7
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Be", "anion": "O3", "combination": "ABO3", "CB_ind": 5.397653784896067, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 3.34, "CB_dir": 5.397653784896067, "gllbsc_dir_gap": 0.0, "standard_energy": 6.590226742165369, "B_ion": "Cs", "VB_dir": 5.397653784896067, "VB_ind": 5.397653784896067}


unique_id: 682785369aa2b3971943559ce4e3b0ca
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "La", "anion": "O3", "combination": "ABO3", "CB_ind": 5.6836842161259895, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.28, "CB_dir": 5.6836842161259895, "gllbsc_dir_gap": 0.0, "standard_energy": -10.117540369851639, "B_ion": "Ge", "VB_dir": 5.6836842161259895, "VB_ind": 5.6836842161259895}


unique_id: 48e3dd02e3ba06e1f0ac4ae4a0ccb197
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Sr", "anion": "O3", "combination": "ABO3", "CB_ind": 4.836768746896412, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.44, "CB_dir": 4.836768746896412, "gllbsc_dir_gap": 0.0, "standard_energy": -7.885196121690292, "B_ion": "In", "VB_dir": 4.836768746896412, "VB_ind": 4.836768746896412}


unique_id: 53f508dc348d982a7f32f0146ec0a687
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Rh", "anion": "O3", "combination": "ABO3", "CB_ind": 5.328608930690624, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 3.1, "CB_dir": 5.328608930690624, "gllbsc_dir_gap": 0.0, "standard_energy": 8.140757863568734, "B_ion": "Rb", "VB_dir": 5.328608930690624, "VB_ind": 5.328608930690624}


unique_id: 1dd6ec26ee054282548b8724e44ad5cf
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Hg", "anion": "O3", "combination": "ABO3", "CB_ind": 6.29633287605109, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.96, "CB_dir": 6.29633287605109, "gllbsc_dir_gap": 0.0, "standard_energy": 2.3824392129812493, "B_ion": "Ag", "VB_dir": 6.29633287605109, "VB_ind": 6.29633287605109}


unique_id: b51e77aeb9099b8f61971a7af4a0c31b
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Re", "anion": "O3", "combination": "ABO3", "CB_ind": 5.774469792365836, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.74, "CB_dir": 5.774469792365836, "gllbsc_dir_gap": 0.0, "standard_energy": -0.6043012771395713, "B_ion": "Mg", "VB_dir": 5.774469792365836, "VB_ind": 5.774469792365836}


unique_id: d024836ef0d9b2074a3f629ce4b8e183
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Mn", "anion": "O3", "combination": "ABO3", "CB_ind": 5.01639322730436, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.8, "CB_dir": 5.01639322730436, "gllbsc_dir_gap": 0.0, "standard_energy": -1.0552039432212226, "B_ion": "Sr", "VB_dir": 5.01639322730436, "VB_ind": 5.01639322730436}


unique_id: 299c67534e063794acac1264ed735fb2
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Rb", "anion": "O3", "combination": "ABO3", "CB_ind": 5.267752524669626, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.68, "CB_dir": 5.267752524669626, "gllbsc_dir_gap": 0.0, "standard_energy": -4.023900229975804, "B_ion": "Fe", "VB_dir": 5.267752524669626, "VB_ind": 5.267752524669626}


unique_id: 789ed28aad37405dd4c34b584d375891
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Re", "anion": "O3", "combination": "ABO3", "CB_ind": 5.931947772903282, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.68, "CB_dir": 5.931947772903282, "gllbsc_dir_gap": 0.0, "standard_energy": -1.1024528933642816, "B_ion": "B", "VB_dir": 5.931947772903282, "VB_ind": 5.931947772903282}


unique_id: a399fd3259201c27ccbe2fbb627c2e0c
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Bi", "anion": "O3", "combination": "ABO3", "CB_ind": 5.802987080079989, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.78, "CB_dir": 5.802987080079989, "gllbsc_dir_gap": 0.0, "standard_energy": -5.394423088072029, "B_ion": "Mg", "VB_dir": 5.802987080079989, "VB_ind": 5.802987080079989}


unique_id: fbe2f0d12cf996ed0892462d33900cee
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ca", "anion": "O3", "combination": "ABO3", "CB_ind": 5.542842788947978, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.06, "CB_dir": 5.542842788947978, "gllbsc_dir_gap": 0.0, "standard_energy": -5.145886581251429, "B_ion": "Pt", "VB_dir": 5.542842788947978, "VB_ind": 5.542842788947978}


unique_id: ecaac1fde741b401472049523adad8b2
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Pt", "anion": "O3", "combination": "ABO3", "CB_ind": 5.537794654168111, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 3.02, "CB_dir": 5.537794654168111, "gllbsc_dir_gap": 0.0, "standard_energy": 7.7220345781139885, "B_ion": "Cs", "VB_dir": 5.537794654168111, "VB_ind": 5.537794654168111}


unique_id: bc3f3b2c4cd9505cb547b4279d801eb4
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Rb", "anion": "O3", "combination": "ABO3", "CB_ind": 5.365277131478885, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.26, "CB_dir": 5.365277131478885, "gllbsc_dir_gap": 0.0, "standard_energy": -1.303517441338688, "B_ion": "Zn", "VB_dir": 5.365277131478885, "VB_ind": 5.365277131478885}


unique_id: 39f965077d8e027a49c27def62e6b4b5
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ba", "anion": "O3", "combination": "ABO3", "CB_ind": 5.512847091456079, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.66, "CB_dir": 5.512847091456079, "gllbsc_dir_gap": 0.0, "standard_energy": -6.571188250674441, "B_ion": "Zn", "VB_dir": 5.512847091456079, "VB_ind": 5.512847091456079}


unique_id: 9cbcb7b13553be333d43852f511fea72
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ga", "anion": "O3", "combination": "ABO3", "CB_ind": 5.672841800637302, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.06, "CB_dir": 5.672841800637302, "gllbsc_dir_gap": 0.0, "standard_energy": -2.4552074789895606, "B_ion": "Rh", "VB_dir": 5.672841800637302, "VB_ind": 5.672841800637302}


unique_id: 55c3015dc1db128f08b8bdb50aa28c8f
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Cd", "anion": "O3", "combination": "ABO3", "CB_ind": 5.2898889365259745, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.88, "CB_dir": 5.2898889365259745, "gllbsc_dir_gap": 0.0, "standard_energy": 1.9636773181764773, "B_ion": "Cs", "VB_dir": 5.2898889365259745, "VB_ind": 5.2898889365259745}


unique_id: 593b230354732e71d1e2001af7b75465
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "W", "anion": "O3", "combination": "ABO3", "CB_ind": 5.882660357070918, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.84, "CB_dir": 5.882660357070918, "gllbsc_dir_gap": 0.0, "standard_energy": -5.047280360602635, "B_ion": "Mg", "VB_dir": 5.882660357070918, "VB_ind": 5.882660357070918}


unique_id: 45f4299d44ce81bc350f39657ced4a18
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Zr", "anion": "O3", "combination": "ABO3", "CB_ind": 5.654651580768899, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.7, "CB_dir": 5.654651580768899, "gllbsc_dir_gap": 0.0, "standard_energy": -8.51862690152976, "B_ion": "Cr", "VB_dir": 5.654651580768899, "VB_ind": 5.654651580768899}


unique_id: 54ffec599f6e88364771a03e72f8b15f
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ni", "anion": "O3", "combination": "ABO3", "CB_ind": 5.834827500261499, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.72, "CB_dir": 5.834827500261499, "gllbsc_dir_gap": 0.0, "standard_energy": -4.466964110135967, "B_ion": "V", "VB_dir": 5.834827500261499, "VB_ind": 5.834827500261499}


unique_id: cfbbe8db67c976a548805747db84a7f5
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Zn", "anion": "O3", "combination": "ABO3", "CB_ind": 5.939349857879042, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.0, "CB_dir": 5.939349857879042, "gllbsc_dir_gap": 0.0, "standard_energy": -2.581687189812998, "B_ion": "Pb", "VB_dir": 5.939349857879042, "VB_ind": 5.939349857879042}


unique_id: 62dcf6a3ee135316480656f4d8233426
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Al", "anion": "O3", "combination": "ABO3", "CB_ind": 5.514251629251118, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.06, "CB_dir": 5.514251629251118, "gllbsc_dir_gap": 0.0, "standard_energy": -5.360572473102851, "B_ion": "Mn", "VB_dir": 5.514251629251118, "VB_ind": 5.514251629251118}


unique_id: 7fe2722a16d24aac7a7c262acbe04a0a
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Te", "anion": "O3", "combination": "ABO3", "CB_ind": 6.635993065167683, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.18, "CB_dir": 6.635993065167683, "gllbsc_dir_gap": 0.0, "standard_energy": -1.5175236295662717, "B_ion": "Te", "VB_dir": 6.635993065167683, "VB_ind": 6.635993065167683}


unique_id: 86357b4e231b73a5a07c6e8c89269336
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "La", "anion": "O3", "combination": "ABO3", "CB_ind": 5.643583672504132, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.96, "CB_dir": 5.643583672504132, "gllbsc_dir_gap": 0.0, "standard_energy": -6.697002051548517, "B_ion": "Ag", "VB_dir": 5.643583672504132, "VB_ind": 5.643583672504132}


unique_id: 4d43669070833febe5e4647277a44386
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ir", "anion": "O3", "combination": "ABO3", "CB_ind": 5.564528980681918, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 3.66, "CB_dir": 5.564528980681918, "gllbsc_dir_gap": 0.0, "standard_energy": 10.896072931841683, "B_ion": "Rb", "VB_dir": 5.564528980681918, "VB_ind": 5.564528980681918}


unique_id: 83aa9b9fa60f095d78a64445f7447d4e
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ti", "anion": "O3", "combination": "ABO3", "CB_ind": 5.785372674963633, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.04, "CB_dir": 5.785372674963633, "gllbsc_dir_gap": 0.0, "standard_energy": -6.061771454420174, "B_ion": "Ni", "VB_dir": 5.785372674963633, "VB_ind": 5.785372674963633}


unique_id: 74aa5a9f6ca56f6dc9307b1f19c417db
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Te", "anion": "O3", "combination": "ABO3", "CB_ind": 6.5894114851666625, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.1, "CB_dir": 6.5894114851666625, "gllbsc_dir_gap": 0.0, "standard_energy": -1.924629264783606, "B_ion": "As", "VB_dir": 6.5894114851666625, "VB_ind": 6.5894114851666625}


unique_id: 37a455a1458858944812443ca985e623
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ga", "anion": "O3", "combination": "ABO3", "CB_ind": 5.749876910710813, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.66, "CB_dir": 5.749876910710813, "gllbsc_dir_gap": 0.0, "standard_energy": -4.415362864253918, "B_ion": "Ge", "VB_dir": 5.749876910710813, "VB_ind": 5.749876910710813}


unique_id: fe373f869b10ff964b3f12977da1d99a
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ga", "anion": "O3", "combination": "ABO3", "CB_ind": 5.560283068539087, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.06, "CB_dir": 5.560283068539087, "gllbsc_dir_gap": 0.0, "standard_energy": -2.447154944495619, "B_ion": "Pb", "VB_dir": 5.560283068539087, "VB_ind": 5.560283068539087}


unique_id: 73bc1f22063162718176374f6f786c7e
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Si", "anion": "O3", "combination": "ABO3", "CB_ind": 5.752686603234633, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.5, "CB_dir": 5.752686603234633, "gllbsc_dir_gap": 0.0, "standard_energy": -2.751254375534923, "B_ion": "In", "VB_dir": 5.752686603234633, "VB_ind": 5.752686603234633}


unique_id: c5f5f296ae84b6eaaa4fff955e16375e
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Fe", "anion": "O3", "combination": "ABO3", "CB_ind": 6.2128439271921065, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.54, "CB_dir": 6.2128439271921065, "gllbsc_dir_gap": 0.0, "standard_energy": 0.3087666733741834, "B_ion": "Ir", "VB_dir": 6.2128439271921065, "VB_ind": 6.2128439271921065}


unique_id: 924fc4e09943d5762ef7d338fc0ec537
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Li", "anion": "O3", "combination": "ABO3", "CB_ind": 5.278960610134139, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.16, "CB_dir": 5.278960610134139, "gllbsc_dir_gap": 0.0, "standard_energy": -7.9924910673781, "B_ion": "Y", "VB_dir": 5.278960610134139, "VB_ind": 5.278960610134139}


unique_id: 49b875892fb3e84813074a19e3a7b5a6
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "In", "anion": "O3", "combination": "ABO3", "CB_ind": 5.774277777275717, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.58, "CB_dir": 5.774277777275717, "gllbsc_dir_gap": 0.0, "standard_energy": -4.515699785434297, "B_ion": "Sb", "VB_dir": 5.774277777275717, "VB_ind": 5.774277777275717}


unique_id: 955383fdf48f3a630bfb196fa3a17d53
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Cr", "anion": "O3", "combination": "ABO3", "CB_ind": 6.1390340556016065, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.04, "CB_dir": 6.1390340556016065, "gllbsc_dir_gap": 0.0, "standard_energy": -2.1451074833842316, "B_ion": "Te", "VB_dir": 6.1390340556016065, "VB_ind": 6.1390340556016065}


unique_id: 7f5d832687addf6db57d56851104992a
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Hg", "anion": "O3", "combination": "ABO3", "CB_ind": 5.89713516319945, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.02, "CB_dir": 5.89713516319945, "gllbsc_dir_gap": 0.0, "standard_energy": -2.5920222653740552, "B_ion": "Ga", "VB_dir": 5.89713516319945, "VB_ind": 5.89713516319945}


unique_id: 3a1d7b7a02a80191f66aa1da306d3906
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ti", "anion": "O3", "combination": "ABO3", "CB_ind": 5.785372674963633, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.08, "CB_dir": 5.785372674963633, "gllbsc_dir_gap": 0.0, "standard_energy": -5.76617671133535, "B_ion": "W", "VB_dir": 5.785372674963633, "VB_ind": 5.785372674963633}


unique_id: 1efcac2160dfe7ea3d3296b708ac1724
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Au", "anion": "O3", "combination": "ABO3", "CB_ind": 6.256076758301137, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.76, "CB_dir": 6.256076758301137, "gllbsc_dir_gap": 0.0, "standard_energy": 1.3816429154168421, "B_ion": "Pb", "VB_dir": 6.256076758301137, "VB_ind": 6.256076758301137}


unique_id: f36f5b377644517016594e5d2ea43088
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Cs", "anion": "O3", "combination": "ABO3", "CB_ind": 4.899674136402234, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.66, "CB_dir": 4.899674136402234, "gllbsc_dir_gap": 0.0, "standard_energy": -8.246005608809476, "B_ion": "La", "VB_dir": 4.899674136402234, "VB_ind": 4.899674136402234}


unique_id: 8724d8ae56d3635cbb1ac20241c6bb16
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Sr", "anion": "O3", "combination": "ABO3", "CB_ind": 5.1638863558351416, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.44, "CB_dir": 5.1638863558351416, "gllbsc_dir_gap": 0.0, "standard_energy": -7.827392393872708, "B_ion": "Co", "VB_dir": 5.1638863558351416, "VB_ind": 5.1638863558351416}


unique_id: f3dfb1ef3a9ca586c8886b33a50312bb
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Co", "anion": "O3", "combination": "ABO3", "CB_ind": 5.669291834276199, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.6, "CB_dir": 5.669291834276199, "gllbsc_dir_gap": 0.0, "standard_energy": -4.418970139728232, "B_ion": "Y", "VB_dir": 5.669291834276199, "VB_ind": 5.669291834276199}


unique_id: 25014181e2d467457c2d68607d100d6f
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Rh", "anion": "O3", "combination": "ABO3", "CB_ind": 6.174935828562044, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.58, "CB_dir": 6.174935828562044, "gllbsc_dir_gap": 0.0, "standard_energy": 0.48206030008661216, "B_ion": "Os", "VB_dir": 6.174935828562044, "VB_ind": 6.174935828562044}


unique_id: 91679fb0e666a06534bebde54cda8cbe
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ni", "anion": "O3", "combination": "ABO3", "CB_ind": 5.629642545040163, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.04, "CB_dir": 5.629642545040163, "gllbsc_dir_gap": 0.0, "standard_energy": 1.4579390328535606, "B_ion": "Li", "VB_dir": 5.629642545040163, "VB_ind": 5.629642545040163}


unique_id: c04dd3d7f7e9ede74f2443d15f445f47
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Cs", "anion": "O3", "combination": "ABO3", "CB_ind": 5.386592925955301, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.44, "CB_dir": 5.386592925955301, "gllbsc_dir_gap": 0.0, "standard_energy": -5.23615424323623, "B_ion": "Sb", "VB_dir": 5.386592925955301, "VB_ind": 5.386592925955301}


unique_id: 65e2f8e784df41e68f79a7804319390c
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Rh", "anion": "O3", "combination": "ABO3", "CB_ind": 6.141749050727387, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.14, "CB_dir": 6.141749050727387, "gllbsc_dir_gap": 0.0, "standard_energy": -4.609092771796989, "B_ion": "Si", "VB_dir": 6.141749050727387, "VB_ind": 6.141749050727387}


unique_id: f5f7e3ccd87a2038eb15103c87da765e
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Cr", "anion": "O3", "combination": "ABO3", "CB_ind": 5.112933095396412, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.74, "CB_dir": 5.112933095396412, "gllbsc_dir_gap": 0.0, "standard_energy": -1.7463716821432218, "B_ion": "Ca", "VB_dir": 5.112933095396412, "VB_ind": 5.112933095396412}


unique_id: d0f39f0433b015d9077e283769a9b587
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Si", "anion": "O3", "combination": "ABO3", "CB_ind": 5.785708020008488, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.4, "CB_dir": 5.785708020008488, "gllbsc_dir_gap": 0.0, "standard_energy": -7.591987778194065, "B_ion": "Y", "VB_dir": 5.785708020008488, "VB_ind": 5.785708020008488}


unique_id: 83026b53eb433aec5324a429253bfef4
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Be", "anion": "O3", "combination": "ABO3", "CB_ind": 6.17745930134122, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.16, "CB_dir": 6.17745930134122, "gllbsc_dir_gap": 0.0, "standard_energy": -4.301906785010059, "B_ion": "Co", "VB_dir": 6.17745930134122, "VB_ind": 6.17745930134122}


unique_id: 30f8d5186723e1e9b1b4971738f0f319
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ir", "anion": "O3", "combination": "ABO3", "CB_ind": 5.88650579493015, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.38, "CB_dir": 5.88650579493015, "gllbsc_dir_gap": 0.0, "standard_energy": -0.5054084977285025, "B_ion": "In", "VB_dir": 5.88650579493015, "VB_ind": 5.88650579493015}


unique_id: 39b71b082e62fff02f4e03bad0d6dc74
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Au", "anion": "O3", "combination": "ABO3", "CB_ind": 5.878697595704396, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.42, "CB_dir": 5.878697595704396, "gllbsc_dir_gap": 0.0, "standard_energy": 4.2690382585944775, "B_ion": "Na", "VB_dir": 5.878697595704396, "VB_ind": 5.878697595704396}


unique_id: 70f0c4a565923c51f65c46bff099946d
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ru", "anion": "O3", "combination": "ABO3", "CB_ind": 5.721074788348838, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.3, "CB_dir": 5.721074788348838, "gllbsc_dir_gap": 0.0, "standard_energy": -5.944292494020269, "B_ion": "Y", "VB_dir": 5.721074788348838, "VB_ind": 5.721074788348838}


unique_id: d33f8a61c1018fdc211c4f27ae5efbc6
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ca", "anion": "O3", "combination": "ABO3", "CB_ind": 5.112933095396412, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": -0.04, "CB_dir": 5.112933095396412, "gllbsc_dir_gap": 0.0, "standard_energy": -10.675040468497977, "B_ion": "Cr", "VB_dir": 5.112933095396412, "VB_ind": 5.112933095396412}


unique_id: 850facb4b7d135e3315b4d7fabf4ad2f
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "As", "anion": "O3", "combination": "ABO3", "CB_ind": 6.4040328379575655, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.0, "CB_dir": 6.4040328379575655, "gllbsc_dir_gap": 0.0, "standard_energy": -5.25659326975053, "B_ion": "Si", "VB_dir": 6.4040328379575655, "VB_ind": 6.4040328379575655}


unique_id: 170496b4696a2a4e8280b4c536913601
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ta", "anion": "O3", "combination": "ABO3", "CB_ind": 5.842835742624343, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.56, "CB_dir": 5.842835742624343, "gllbsc_dir_gap": 0.0, "standard_energy": -2.2362986239201206, "B_ion": "Pb", "VB_dir": 5.842835742624343, "VB_ind": 5.842835742624343}


unique_id: b8e323d59ef534b027dca28cfaa1b621
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Pb", "anion": "O3", "combination": "ABO3", "CB_ind": 5.952637126878618, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.78, "CB_dir": 5.952637126878618, "gllbsc_dir_gap": 0.0, "standard_energy": -3.5050512634176503, "B_ion": "Ru", "VB_dir": 5.952637126878618, "VB_ind": 5.952637126878618}


unique_id: f180437164ac3d321cd3008acfda4e48
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Re", "anion": "O3", "combination": "ABO3", "CB_ind": 5.642286745962237, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.16, "CB_dir": 5.642286745962237, "gllbsc_dir_gap": 0.0, "standard_energy": -6.391190226612077, "B_ion": "Sc", "VB_dir": 5.642286745962237, "VB_ind": 5.642286745962237}


unique_id: 6b46de774b79c151740c14c29412ded1
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ge", "anion": "O3", "combination": "ABO3", "CB_ind": 5.935192449773828, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.22, "CB_dir": 5.935192449773828, "gllbsc_dir_gap": 0.0, "standard_energy": -3.107555998767305, "B_ion": "Mg", "VB_dir": 5.935192449773828, "VB_ind": 5.935192449773828}


unique_id: 9d4ed458f94dfac27108b0e3095ae226
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ni", "anion": "O3", "combination": "ABO3", "CB_ind": 5.959084163907744, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.6, "CB_dir": 5.959084163907744, "gllbsc_dir_gap": 0.0, "standard_energy": -5.700521268052812, "B_ion": "Nb", "VB_dir": 5.959084163907744, "VB_ind": 5.959084163907744}


unique_id: 62b068a15b911c9858b83d91f7c70824
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "B", "anion": "O3", "combination": "ABO3", "CB_ind": 5.260814400450959, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 3.26, "CB_dir": 5.260814400450959, "gllbsc_dir_gap": 0.0, "standard_energy": 3.7614063375426046, "B_ion": "Ca", "VB_dir": 5.260814400450959, "VB_ind": 5.260814400450959}


unique_id: c10cf927aeceeb7c6c47c96ad4029fd3
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Li", "anion": "O3", "combination": "ABO3", "CB_ind": 5.420140714334965, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.5, "CB_dir": 5.420140714334965, "gllbsc_dir_gap": 0.0, "standard_energy": -10.843038771050296, "B_ion": "Zr", "VB_dir": 5.420140714334965, "VB_ind": 5.420140714334965}


unique_id: c61cf57be94f40b020d1c4d850b8d94d
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Pd", "anion": "O3", "combination": "ABO3", "CB_ind": 5.401471153806647, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.74, "CB_dir": 5.401471153806647, "gllbsc_dir_gap": 0.0, "standard_energy": 6.202867247296063, "B_ion": "K", "VB_dir": 5.401471153806647, "VB_ind": 5.401471153806647}


unique_id: 5802a3fef0563393aa06cbf5e3cb2e70
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "As", "anion": "O3", "combination": "ABO3", "CB_ind": 5.7089878462434545, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.22, "CB_dir": 5.7089878462434545, "gllbsc_dir_gap": 0.0, "standard_energy": 1.5190764749601176, "B_ion": "Ba", "VB_dir": 5.7089878462434545, "VB_ind": 5.7089878462434545}


unique_id: 31d20ad3380d7e71a632d537ec08294a
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ca", "anion": "O3", "combination": "ABO3", "CB_ind": 5.0795123670883635, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": -0.14, "CB_dir": 5.0795123670883635, "gllbsc_dir_gap": 0.0, "standard_energy": -11.881625727352116, "B_ion": "V", "VB_dir": 5.0795123670883635, "VB_ind": 5.0795123670883635}


unique_id: ff768e019ea0e2cfe22e143d23b4f87a
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Fe", "anion": "O3", "combination": "ABO3", "CB_ind": 5.990377543136873, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.46, "CB_dir": 5.990377543136873, "gllbsc_dir_gap": 0.0, "standard_energy": -0.30272887372967716, "B_ion": "Zn", "VB_dir": 5.990377543136873, "VB_ind": 5.990377543136873}


unique_id: 60c0a902086ef06e7bf6acea3b04d695
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Cd", "anion": "O3", "combination": "ABO3", "CB_ind": 5.394125536070042, "gllbsc_ind_gap": 1.3, "heat_of_formation_all": 0.44, "CB_dir": 5.1391255360700425, "gllbsc_dir_gap": 1.8, "standard_energy": -5.217236469149931, "B_ion": "Sn", "VB_dir": 6.969125536070043, "VB_ind": 6.714125536070043}


unique_id: 3710210af9b1a0993a6943e1096e722f
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Te", "anion": "O3", "combination": "ABO3", "CB_ind": 6.319535323741675, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.04, "CB_dir": 6.319535323741675, "gllbsc_dir_gap": 0.0, "standard_energy": -2.206290691105073, "B_ion": "Co", "VB_dir": 6.319535323741675, "VB_ind": 6.319535323741675}


unique_id: 82a82f40d8d8c419ba343d9c92853e60
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Fe", "anion": "O3", "combination": "ABO3", "CB_ind": 6.0037789691732755, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.36, "CB_dir": 6.0037789691732755, "gllbsc_dir_gap": 0.0, "standard_energy": -0.5958151203619728, "B_ion": "Ru", "VB_dir": 6.0037789691732755, "VB_ind": 6.0037789691732755}


unique_id: eecd82c7d65d49fc861a54375001158a
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Mn", "anion": "O3", "combination": "ABO3", "CB_ind": 5.733218520010463, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.38, "CB_dir": 5.733218520010463, "gllbsc_dir_gap": 0.0, "standard_energy": -5.465790283591, "B_ion": "Mo", "VB_dir": 5.733218520010463, "VB_ind": 5.733218520010463}


unique_id: 72ee7c892f91c405b5f1adb362046751
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Bi", "anion": "O3", "combination": "ABO3", "CB_ind": 5.964019314004662, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.62, "CB_dir": 5.964019314004662, "gllbsc_dir_gap": 0.0, "standard_energy": -4.2584469783076555, "B_ion": "Sn", "VB_dir": 5.964019314004662, "VB_ind": 5.964019314004662}


unique_id: 14ce9de99e8de8f5c2d0d3fbac0ad0b9
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Fe", "anion": "O3", "combination": "ABO3", "CB_ind": 5.949437185133654, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.0, "CB_dir": 5.949437185133654, "gllbsc_dir_gap": 0.0, "standard_energy": -2.427091990690231, "B_ion": "Co", "VB_dir": 5.949437185133654, "VB_ind": 5.949437185133654}


unique_id: 8d17be6c3479cf99cfd74b91e1eb3a0b
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Sb", "anion": "O3", "combination": "ABO3", "CB_ind": 5.962736395107224, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.46, "CB_dir": 5.962736395107224, "gllbsc_dir_gap": 0.0, "standard_energy": -9.683171718762658, "B_ion": "Zr", "VB_dir": 5.962736395107224, "VB_ind": 5.962736395107224}


unique_id: bf6b34d407afe1d2de0e639694ce2f9a
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "K", "anion": "O3", "combination": "ABO3", "CB_ind": 5.39660714667671, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.28, "CB_dir": 5.39660714667671, "gllbsc_dir_gap": 0.0, "standard_energy": -1.1248495006147885, "B_ion": "Cd", "VB_dir": 5.39660714667671, "VB_ind": 5.39660714667671}


unique_id: 5f2828143862db9ff7bdfd3195604b14
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "In", "anion": "O3", "combination": "ABO3", "CB_ind": 4.991056612094879, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.3, "CB_dir": 4.991056612094879, "gllbsc_dir_gap": 0.0, "standard_energy": 4.133303043817449, "B_ion": "Rb", "VB_dir": 4.991056612094879, "VB_ind": 4.991056612094879}


unique_id: c557b71af9d243896b044eb5c4607a7c
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "La", "anion": "O3", "combination": "ABO3", "CB_ind": 5.722683993742228, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.48, "CB_dir": 5.722683993742228, "gllbsc_dir_gap": 0.0, "standard_energy": -11.278439094977447, "B_ion": "Si", "VB_dir": 5.722683993742228, "VB_ind": 5.722683993742228}


unique_id: c9a94aea50d4f5e807d4302944918a32
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Nb", "anion": "O3", "combination": "ABO3", "CB_ind": 6.2468348289265005, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.52, "CB_dir": 6.2468348289265005, "gllbsc_dir_gap": 0.0, "standard_energy": -1.1379864574611576, "B_ion": "Pt", "VB_dir": 6.2468348289265005, "VB_ind": 6.2468348289265005}


unique_id: a93d1d1ed32d50f525bb4024835ece5a
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Hf", "anion": "O3", "combination": "ABO3", "CB_ind": 5.665741240830695, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.3, "CB_dir": 5.665741240830695, "gllbsc_dir_gap": 0.0, "standard_energy": -6.004705429520472, "B_ion": "Re", "VB_dir": 5.665741240830695, "VB_ind": 5.665741240830695}


unique_id: c445218fb1019b5f78f5137ae5011dd3
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Re", "anion": "O3", "combination": "ABO3", "CB_ind": 5.665741240830695, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.04, "CB_dir": 5.665741240830695, "gllbsc_dir_gap": 0.0, "standard_energy": -7.272004365095336, "B_ion": "Hf", "VB_dir": 5.665741240830695, "VB_ind": 5.665741240830695}


unique_id: 8038d5123a3de50a8285260e1e3d8ab6
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Rb", "anion": "O3", "combination": "ABO3", "CB_ind": 4.660201478972202, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.26, "CB_dir": 4.660201478972202, "gllbsc_dir_gap": 0.0, "standard_energy": -4.135634872794548, "B_ion": "Ca", "VB_dir": 4.660201478972202, "VB_ind": 4.660201478972202}


unique_id: 738d8ea147bccba398442c752bf6b202
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Rb", "anion": "O3", "combination": "ABO3", "CB_ind": 4.749886480860325, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.88, "CB_dir": 4.749886480860325, "gllbsc_dir_gap": 0.0, "standard_energy": 1.9147586915852783, "B_ion": "K", "VB_dir": 4.749886480860325, "VB_ind": 4.749886480860325}


unique_id: 2a21ca4552e7f66f04946d35320ad809
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ti", "anion": "O3", "combination": "ABO3", "CB_ind": 5.570075494544151, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.7, "CB_dir": 5.570075494544151, "gllbsc_dir_gap": 0.0, "standard_energy": -10.451814244280854, "B_ion": "Zr", "VB_dir": 5.570075494544151, "VB_ind": 5.570075494544151}


unique_id: 6b83ac0fc13125ea937feae2e0b6afe9
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "In", "anion": "O3", "combination": "ABO3", "CB_ind": 5.310158216413229, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.98, "CB_dir": 5.310158216413229, "gllbsc_dir_gap": 0.0, "standard_energy": -7.584083605514756, "B_ion": "Y", "VB_dir": 5.310158216413229, "VB_ind": 5.310158216413229}


unique_id: d796306eb740d7aad21e8b3397616489
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "As", "anion": "O3", "combination": "ABO3", "CB_ind": 6.438636859268723, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.48, "CB_dir": 6.438636859268723, "gllbsc_dir_gap": 0.0, "standard_energy": 0.06875395502343018, "B_ion": "Os", "VB_dir": 6.438636859268723, "VB_ind": 6.438636859268723}


unique_id: 77d6fe3bd892912eb9dfa46569ec417c
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "B", "anion": "O3", "combination": "ABO3", "CB_ind": 5.23898623983751, "gllbsc_ind_gap": 1.4, "heat_of_formation_all": 1.2, "CB_dir": 4.698986239837511, "gllbsc_dir_gap": 2.5, "standard_energy": -4.48561861802199, "B_ion": "Nb", "VB_dir": 7.15898623983751, "VB_ind": 6.618986239837511}


unique_id: 3e224d6be97f1532e50b1f288c6ae58b
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ni", "anion": "O3", "combination": "ABO3", "CB_ind": 5.925942610799772, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.78, "CB_dir": 5.925942610799772, "gllbsc_dir_gap": 0.0, "standard_energy": 1.5314437645850152, "B_ion": "Pb", "VB_dir": 5.925942610799772, "VB_ind": 5.925942610799772}


unique_id: 8d7d500a7d181edba13f88776b761560
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Co", "anion": "O3", "combination": "ABO3", "CB_ind": 5.846275333177606, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.66, "CB_dir": 5.846275333177606, "gllbsc_dir_gap": 0.0, "standard_energy": -4.106273515242714, "B_ion": "Mn", "VB_dir": 5.846275333177606, "VB_ind": 5.846275333177606}


unique_id: 79039783d66996934e6bc0c40eb33396
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Pb", "anion": "O3", "combination": "ABO3", "CB_ind": 2.9854142529717467, "gllbsc_ind_gap": 5.4, "heat_of_formation_all": 0.08, "CB_dir": 2.980414252971747, "gllbsc_dir_gap": 5.5, "standard_energy": -11.578932097412398, "B_ion": "Zr", "VB_dir": 8.430414252971747, "VB_ind": 8.425414252971747}


unique_id: 3e73409bf8f77f2cde0e602c66c72566
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ta", "anion": "O3", "combination": "ABO3", "CB_ind": 5.615544765638999, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.78, "CB_dir": 5.615544765638999, "gllbsc_dir_gap": 0.0, "standard_energy": -9.343739033273513, "B_ion": "Y", "VB_dir": 5.615544765638999, "VB_ind": 5.615544765638999}


unique_id: ad8c123b129b6c65e4bd41618863cbcf
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Li", "anion": "O3", "combination": "ABO3", "CB_ind": 4.90088848874054, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.8, "CB_dir": 4.90088848874054, "gllbsc_dir_gap": 0.0, "standard_energy": -2.8234240401433857, "B_ion": "Ca", "VB_dir": 4.90088848874054, "VB_ind": 4.90088848874054}


unique_id: 701be890fe7e8f057c724cffde5ddd17
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Zn", "anion": "O3", "combination": "ABO3", "CB_ind": 6.08750769520659, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.4, "CB_dir": 6.08750769520659, "gllbsc_dir_gap": 0.0, "standard_energy": -5.573251825037618, "B_ion": "W", "VB_dir": 6.08750769520659, "VB_ind": 6.08750769520659}


unique_id: 9c9589bd10107c714516908d852d92e4
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "As", "anion": "O3", "combination": "ABO3", "CB_ind": 6.215684054191196, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.5, "CB_dir": 6.215684054191196, "gllbsc_dir_gap": 0.0, "standard_energy": -6.18539158628105, "B_ion": "Ta", "VB_dir": 6.215684054191196, "VB_ind": 6.215684054191196}


unique_id: a71ff97216dafcc9a7779c12c6581dbf
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ta", "anion": "O3", "combination": "ABO3", "CB_ind": 6.215684054191196, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.1, "CB_dir": 6.215684054191196, "gllbsc_dir_gap": 0.0, "standard_energy": -3.2075236346765514, "B_ion": "As", "VB_dir": 6.215684054191196, "VB_ind": 6.215684054191196}


unique_id: 7fda95048df298de8e0667148c94305e
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ru", "anion": "O3", "combination": "ABO3", "CB_ind": 6.112179254551323, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.34, "CB_dir": 6.112179254551323, "gllbsc_dir_gap": 0.0, "standard_energy": 4.32143058552572, "B_ion": "Ag", "VB_dir": 6.112179254551323, "VB_ind": 6.112179254551323}


unique_id: b66cd096c02507f7f2068044b796677a
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Zn", "anion": "O3", "combination": "ABO3", "CB_ind": 6.05676113426741, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.34, "CB_dir": 6.05676113426741, "gllbsc_dir_gap": 0.0, "standard_energy": -3.0379259427555443, "B_ion": "B", "VB_dir": 6.05676113426741, "VB_ind": 6.05676113426741}


unique_id: ae95f161bbc42a05776cb088bf5d376a
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Zr", "anion": "O3", "combination": "ABO3", "CB_ind": 5.6176899052234655, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.78, "CB_dir": 5.6176899052234655, "gllbsc_dir_gap": 0.0, "standard_energy": -8.558518466206834, "B_ion": "V", "VB_dir": 5.6176899052234655, "VB_ind": 5.6176899052234655}


unique_id: 62e0301906452bb4bb5125cd6618a015
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ag", "anion": "O3", "combination": "ABO3", "CB_ind": 5.8583303319753055, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.72, "CB_dir": 5.8583303319753055, "gllbsc_dir_gap": 0.0, "standard_energy": -8.460846570434546, "B_ion": "Zr", "VB_dir": 5.8583303319753055, "VB_ind": 5.8583303319753055}


unique_id: cca4da32523e29a2e4cf1901f8460258
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Rb", "anion": "O3", "combination": "ABO3", "CB_ind": 5.222880358281222, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.84, "CB_dir": 5.222880358281222, "gllbsc_dir_gap": 0.0, "standard_energy": -3.2297821095033545, "B_ion": "Pb", "VB_dir": 5.222880358281222, "VB_ind": 5.222880358281222}


unique_id: bc46830567f6909c1acfab3f5259d825
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Si", "anion": "O3", "combination": "ABO3", "CB_ind": 6.4040328379575655, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.48, "CB_dir": 6.4040328379575655, "gllbsc_dir_gap": 0.0, "standard_energy": -2.8691471272018934, "B_ion": "As", "VB_dir": 6.4040328379575655, "VB_ind": 6.4040328379575655}


unique_id: dbe2a2ecc6f800069eb6bf0ad0b4cc52
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Hg", "anion": "O3", "combination": "ABO3", "CB_ind": 6.211071536059615, "gllbsc_ind_gap": 0.3, "heat_of_formation_all": 0.78, "CB_dir": 5.7310715360596145, "gllbsc_dir_gap": 1.2, "standard_energy": -3.4752639681624604, "B_ion": "Ge", "VB_dir": 6.951071536059615, "VB_ind": 6.471071536059615}


unique_id: 6b3a3d6148a7f0567d676ca9659ca6d4
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Mg", "anion": "O3", "combination": "ABO3", "CB_ind": 6.210383251059522, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.38, "CB_dir": 6.210383251059522, "gllbsc_dir_gap": 0.0, "standard_energy": -2.329105725524693, "B_ion": "Au", "VB_dir": 6.210383251059522, "VB_ind": 6.210383251059522}


unique_id: 22941beb70197e449640c74939ff3c00
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "La", "anion": "O3", "combination": "ABO3", "CB_ind": 5.607535935734677, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.46, "CB_dir": 5.607535935734677, "gllbsc_dir_gap": 0.0, "standard_energy": -9.174099432130422, "B_ion": "Sn", "VB_dir": 5.607535935734677, "VB_ind": 5.607535935734677}


unique_id: c41788452b8d2fcb29904c60682a5b75
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Mo", "anion": "O3", "combination": "ABO3", "CB_ind": 5.784686499644852, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.24, "CB_dir": 5.784686499644852, "gllbsc_dir_gap": 0.0, "standard_energy": -1.1661986359780059, "B_ion": "Pb", "VB_dir": 5.784686499644852, "VB_ind": 5.784686499644852}


unique_id: 82f0dc76dc6dacffea3c275c1f62e03c
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Pt", "anion": "O3", "combination": "ABO3", "CB_ind": 6.655221183479855, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.72, "CB_dir": 6.655221183479855, "gllbsc_dir_gap": 0.0, "standard_energy": 1.1787225566570987, "B_ion": "Te", "VB_dir": 6.655221183479855, "VB_ind": 6.655221183479855}


unique_id: 15f601dc80c9070f1e753a42dc31cdb2
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Pb", "anion": "O3", "combination": "ABO3", "CB_ind": 6.256076758301137, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.34, "CB_dir": 6.256076758301137, "gllbsc_dir_gap": 0.0, "standard_energy": -0.7258771650173106, "B_ion": "Au", "VB_dir": 6.256076758301137, "VB_ind": 6.256076758301137}


unique_id: 36eb5cc06e40b061b11e2e771d352bb0
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ir", "anion": "O3", "combination": "ABO3", "CB_ind": 5.496291696037856, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.72, "CB_dir": 5.496291696037856, "gllbsc_dir_gap": 0.0, "standard_energy": 3.1852489861155036, "B_ion": "Ca", "VB_dir": 5.496291696037856, "VB_ind": 5.496291696037856}


unique_id: c5b3be00f76ba630b14b5606e219d1d9
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Pd", "anion": "O3", "combination": "ABO3", "CB_ind": 6.318357015338576, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.32, "CB_dir": 6.318357015338576, "gllbsc_dir_gap": 0.0, "standard_energy": -0.7415418746310705, "B_ion": "As", "VB_dir": 6.318357015338576, "VB_ind": 6.318357015338576}


unique_id: fa4f5ae3e676195ebd8ffa12e61abb73
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ir", "anion": "O3", "combination": "ABO3", "CB_ind": 6.313581229822549, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.0, "CB_dir": 6.313581229822549, "gllbsc_dir_gap": 0.0, "standard_energy": 2.6032380526238192, "B_ion": "Ni", "VB_dir": 6.313581229822549, "VB_ind": 6.313581229822549}


unique_id: 4ad8154a7e807e7e549dfc99beeb58e7
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Pt", "anion": "O3", "combination": "ABO3", "CB_ind": 6.116578092682896, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.06, "CB_dir": 6.116578092682896, "gllbsc_dir_gap": 0.0, "standard_energy": -2.829660207075424, "B_ion": "V", "VB_dir": 6.116578092682896, "VB_ind": 6.116578092682896}


unique_id: d7b841a7e14dd070cfcf04bbff2c3eb2
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "La", "anion": "O3", "combination": "ABO3", "CB_ind": 5.499095927954576, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.54, "CB_dir": 5.499095927954576, "gllbsc_dir_gap": 0.0, "standard_energy": -8.838814908867114, "B_ion": "Mo", "VB_dir": 5.499095927954576, "VB_ind": 5.499095927954576}


unique_id: e1d614243f08caa7dcb8d6abaa47e628
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Zn", "anion": "O3", "combination": "ABO3", "CB_ind": 5.8480286024487445, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.2, "CB_dir": 5.8480286024487445, "gllbsc_dir_gap": 0.0, "standard_energy": -7.324585006537051, "B_ion": "V", "VB_dir": 5.8480286024487445, "VB_ind": 5.8480286024487445}


unique_id: 6e85234ac3f0df1b6663ff83f0040e9d
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Zn", "anion": "O3", "combination": "ABO3", "CB_ind": 5.365277131478885, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.68, "CB_dir": 5.365277131478885, "gllbsc_dir_gap": 0.0, "standard_energy": 5.855225566853988, "B_ion": "Rb", "VB_dir": 5.365277131478885, "VB_ind": 5.365277131478885}


unique_id: e353da187b919831c280c81adf419bc7
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Cu", "anion": "O3", "combination": "ABO3", "CB_ind": 6.371578782852008, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.02, "CB_dir": 6.371578782852008, "gllbsc_dir_gap": 0.0, "standard_energy": -2.261950625983344, "B_ion": "Te", "VB_dir": 6.371578782852008, "VB_ind": 6.371578782852008}


unique_id: c7904159907eb3da8c4bc7881b09a093
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Cr", "anion": "O3", "combination": "ABO3", "CB_ind": 5.679291519103478, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.48, "CB_dir": 5.679291519103478, "gllbsc_dir_gap": 0.0, "standard_energy": -4.981893117083446, "B_ion": "Mn", "VB_dir": 5.679291519103478, "VB_ind": 5.679291519103478}


unique_id: b2f31e66565b013c87c6c9223c76348d
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Y", "anion": "O3", "combination": "ABO3", "CB_ind": 5.507363098519546, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.12, "CB_dir": 5.507363098519546, "gllbsc_dir_gap": 0.0, "standard_energy": -11.821452219186755, "B_ion": "Cr", "VB_dir": 5.507363098519546, "VB_ind": 5.507363098519546}


unique_id: cdc2ca6a32bb6cfefc2c1263aa7bee26
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Re", "anion": "O3", "combination": "ABO3", "CB_ind": 5.970168731047711, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.64, "CB_dir": 5.970168731047711, "gllbsc_dir_gap": 0.0, "standard_energy": 0.8273059654479532, "B_ion": "Cd", "VB_dir": 5.970168731047711, "VB_ind": 5.970168731047711}


unique_id: 9c9731eead00f67334b978605ac22dc3
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Rb", "anion": "O3", "combination": "ABO3", "CB_ind": 5.365277131478885, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.26, "CB_dir": 5.365277131478885, "gllbsc_dir_gap": 0.0, "standard_energy": -1.0821251915289607, "B_ion": "Pd", "VB_dir": 5.365277131478885, "VB_ind": 5.365277131478885}


unique_id: 26f20f76f9445249a0eb0e1a8948078f
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Fe", "anion": "O3", "combination": "ABO3", "CB_ind": 6.184666602505383, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.1, "CB_dir": 6.184666602505383, "gllbsc_dir_gap": 0.0, "standard_energy": 3.109833277282917, "B_ion": "Hg", "VB_dir": 6.184666602505383, "VB_ind": 6.184666602505383}


unique_id: f5eea1cc84ca3523e5543da9f837f92a
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Sc", "anion": "O3", "combination": "ABO3", "CB_ind": 6.0255586512210195, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.36, "CB_dir": 6.0255586512210195, "gllbsc_dir_gap": 0.0, "standard_energy": -5.412681788285092, "B_ion": "Pt", "VB_dir": 6.0255586512210195, "VB_ind": 6.0255586512210195}


unique_id: f163bcd35511e5144c887a0e539bebf2
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Nb", "anion": "O3", "combination": "ABO3", "CB_ind": 6.012298720370547, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.86, "CB_dir": 6.012298720370547, "gllbsc_dir_gap": 0.0, "standard_energy": -4.450793435945842, "B_ion": "Ge", "VB_dir": 6.012298720370547, "VB_ind": 6.012298720370547}


unique_id: d1b77515feeb6a5cd396e4268921bfbc
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Pb", "anion": "O3", "combination": "ABO3", "CB_ind": 5.556803539487298, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.6, "CB_dir": 5.556803539487298, "gllbsc_dir_gap": 0.0, "standard_energy": -9.398620373656195, "B_ion": "Y", "VB_dir": 5.556803539487298, "VB_ind": 5.556803539487298}


unique_id: e0c351ef92a11b53ff3203ea25e1d511
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Be", "anion": "O3", "combination": "ABO3", "CB_ind": 5.614888108457052, "gllbsc_ind_gap": 0.9, "heat_of_formation_all": 2.32, "CB_dir": 5.144888108457052, "gllbsc_dir_gap": 1.8, "standard_energy": 1.483398790238276, "B_ion": "Pb", "VB_dir": 6.964888108457052, "VB_ind": 6.494888108457053}


unique_id: 5631711299e97a05b7ffdeb7419ab132
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ru", "anion": "O3", "combination": "ABO3", "CB_ind": 5.413555102712078, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.84, "CB_dir": 5.413555102712078, "gllbsc_dir_gap": 0.0, "standard_energy": 1.656176887698555, "B_ion": "K", "VB_dir": 5.413555102712078, "VB_ind": 5.413555102712078}


unique_id: f041d3ae5ef1580aaaf4e7d2aa5aab02
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Nb", "anion": "O3", "combination": "ABO3", "CB_ind": 5.8170380608110985, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.02, "CB_dir": 5.8170380608110985, "gllbsc_dir_gap": 0.0, "standard_energy": -3.6254447658804825, "B_ion": "Mo", "VB_dir": 5.8170380608110985, "VB_ind": 5.8170380608110985}


unique_id: f8f50f19c8f0292e1e6351a8b18c4025
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "La", "anion": "O3", "combination": "ABO3", "CB_ind": 5.829247228754114, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.12, "CB_dir": 5.829247228754114, "gllbsc_dir_gap": 0.0, "standard_energy": -5.953937527106446, "B_ion": "Hg", "VB_dir": 5.829247228754114, "VB_ind": 5.829247228754114}


unique_id: 8c5f57520c7032dac84299b73ee22f4a
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "In", "anion": "O3", "combination": "ABO3", "CB_ind": 5.394027341588689, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.24, "CB_dir": 5.394027341588689, "gllbsc_dir_gap": 0.0, "standard_energy": -10.025490777362712, "B_ion": "Ti", "VB_dir": 5.394027341588689, "VB_ind": 5.394027341588689}


unique_id: ca28b2cd89621910a5327f75cc0033a9
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ag", "anion": "O3", "combination": "ABO3", "CB_ind": 5.510367177230663, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.94, "CB_dir": 5.510367177230663, "gllbsc_dir_gap": 0.0, "standard_energy": 0.11416275099110385, "B_ion": "Ba", "VB_dir": 5.510367177230663, "VB_ind": 5.510367177230663}


unique_id: ad89aa5cd1678cbea6dea9bc77ebb611
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Mg", "anion": "O3", "combination": "ABO3", "CB_ind": 5.895969679497858, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.1, "CB_dir": 5.895969679497858, "gllbsc_dir_gap": 0.0, "standard_energy": -3.75366282182718, "B_ion": "Pd", "VB_dir": 5.895969679497858, "VB_ind": 5.895969679497858}


unique_id: e598147b38bb9e70e646154ec73a34ec
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Hf", "anion": "O3", "combination": "ABO3", "CB_ind": 5.771894665536239, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.56, "CB_dir": 5.771894665536239, "gllbsc_dir_gap": 0.0, "standard_energy": -4.684138095795827, "B_ion": "W", "VB_dir": 5.771894665536239, "VB_ind": 5.771894665536239}


unique_id: bf9e7341114f4f3b2adf3e79d537d47d
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Si", "anion": "O3", "combination": "ABO3", "CB_ind": 6.38458211306411, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.3, "CB_dir": 6.38458211306411, "gllbsc_dir_gap": 0.0, "standard_energy": 1.1609658636848348, "B_ion": "Hg", "VB_dir": 6.38458211306411, "VB_ind": 6.38458211306411}


unique_id: a7e2226f9940aa3e24a4f43d3f5417eb
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Cs", "anion": "O3", "combination": "ABO3", "CB_ind": 5.086113943862875, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.26, "CB_dir": 5.086113943862875, "gllbsc_dir_gap": 0.0, "standard_energy": -10.684394329013308, "B_ion": "Zr", "VB_dir": 5.086113943862875, "VB_ind": 5.086113943862875}


unique_id: ad529972297244a249e0254087baa4da
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Fe", "anion": "O3", "combination": "ABO3", "CB_ind": 6.309825589976364, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.68, "CB_dir": 6.309825589976364, "gllbsc_dir_gap": 0.0, "standard_energy": 1.0609151861674242, "B_ion": "Au", "VB_dir": 6.309825589976364, "VB_ind": 6.309825589976364}


unique_id: 6dbd1c48b86d3c183a3a78cb63e6d655
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ni", "anion": "O3", "combination": "ABO3", "CB_ind": 5.771894665536239, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.98, "CB_dir": 5.771894665536239, "gllbsc_dir_gap": 0.0, "standard_energy": -7.590287269671654, "B_ion": "Hf", "VB_dir": 5.771894665536239, "VB_ind": 5.771894665536239}


unique_id: bf3cc07a6321f98cd2c18e98957e133c
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Hg", "anion": "O3", "combination": "ABO3", "CB_ind": 6.523283605094342, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.04, "CB_dir": 6.523283605094342, "gllbsc_dir_gap": 0.0, "standard_energy": -2.1379022854186953, "B_ion": "As", "VB_dir": 6.523283605094342, "VB_ind": 6.523283605094342}


unique_id: b9f2da71cc7ef5c10eab4e2e9d85358d
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Sc", "anion": "O3", "combination": "ABO3", "CB_ind": 5.8391236177969885, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.74, "CB_dir": 5.8391236177969885, "gllbsc_dir_gap": 0.0, "standard_energy": -10.743799076381018, "B_ion": "Si", "VB_dir": 5.8391236177969885, "VB_ind": 5.8391236177969885}


unique_id: 600bd8266a59a71fa777ba19ba0a7e7c
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Y", "anion": "O3", "combination": "ABO3", "CB_ind": 4.958149966429372, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.94, "CB_dir": 4.958149966429372, "gllbsc_dir_gap": 0.0, "standard_energy": -10.784575109985001, "B_ion": "Ca", "VB_dir": 4.958149966429372, "VB_ind": 4.958149966429372}


unique_id: efe9d2bdf8c009cb758ed0bcf2e72c4c
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Na", "anion": "O3", "combination": "ABO3", "CB_ind": 5.618204251496986, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.38, "CB_dir": 5.618204251496986, "gllbsc_dir_gap": 0.0, "standard_energy": -5.903056941939392, "B_ion": "Ge", "VB_dir": 5.618204251496986, "VB_ind": 5.618204251496986}


unique_id: d0dfc114fbee8b2f9ce93d1c1e115b01
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Cd", "anion": "O3", "combination": "ABO3", "CB_ind": 5.294711085773061, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.56, "CB_dir": 5.294711085773061, "gllbsc_dir_gap": 0.0, "standard_energy": -2.6927751860030864, "B_ion": "Ca", "VB_dir": 5.294711085773061, "VB_ind": 5.294711085773061}


unique_id: 7ecc06168966d3ef9885576e9a6c3ffb
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Sb", "anion": "O3", "combination": "ABO3", "CB_ind": 5.289703537233649, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.1, "CB_dir": 5.289703537233649, "gllbsc_dir_gap": 0.0, "standard_energy": -4.565054368342403, "B_ion": "Sr", "VB_dir": 5.289703537233649, "VB_ind": 5.289703537233649}


unique_id: fa49908478f93e67fc1ca189bf895bd6
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Si", "anion": "O3", "combination": "ABO3", "CB_ind": 5.269924282735775, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.7, "CB_dir": 5.269924282735775, "gllbsc_dir_gap": 0.0, "standard_energy": 0.5133533975877302, "B_ion": "Sr", "VB_dir": 5.269924282735775, "VB_ind": 5.269924282735775}


unique_id: 3f4573421fc504363030ba691b57bee1
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Li", "anion": "O3", "combination": "ABO3", "CB_ind": 5.492628235381536, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.28, "CB_dir": 5.492628235381536, "gllbsc_dir_gap": 0.0, "standard_energy": -2.3029866596544712, "B_ion": "Pb", "VB_dir": 5.492628235381536, "VB_ind": 5.492628235381536}


unique_id: 2cdd2951710e0b7c5a6d927c80a0443b
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Zr", "anion": "O3", "combination": "ABO3", "CB_ind": 5.765726449820418, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.56, "CB_dir": 5.765726449820418, "gllbsc_dir_gap": 0.0, "standard_energy": -9.780011891798635, "B_ion": "Ta", "VB_dir": 5.765726449820418, "VB_ind": 5.765726449820418}


unique_id: d8ec456d790b42980d127ea9ca285eda
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Rh", "anion": "O3", "combination": "ABO3", "CB_ind": 6.256115779379952, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.4, "CB_dir": 6.256115779379952, "gllbsc_dir_gap": 0.0, "standard_energy": 4.621781913478877, "B_ion": "Hg", "VB_dir": 6.256115779379952, "VB_ind": 6.256115779379952}


unique_id: f8bc945d990aa19baf7423b18e7e4864
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Na", "anion": "O3", "combination": "ABO3", "CB_ind": 5.161301826834341, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.58, "CB_dir": 5.161301826834341, "gllbsc_dir_gap": 0.0, "standard_energy": -1.28146900967248, "B_ion": "Li", "VB_dir": 5.161301826834341, "VB_ind": 5.161301826834341}


unique_id: aa232e95309988c0cb94ab35b2719430
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ni", "anion": "O3", "combination": "ABO3", "CB_ind": 6.304094212899467, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.02, "CB_dir": 6.304094212899467, "gllbsc_dir_gap": 0.0, "standard_energy": -2.2601155368481276, "B_ion": "As", "VB_dir": 6.304094212899467, "VB_ind": 6.304094212899467}


unique_id: 576f4647322d93a575d6e0910584e90a
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "In", "anion": "O3", "combination": "ABO3", "CB_ind": 5.6757247622396765, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.06, "CB_dir": 5.6757247622396765, "gllbsc_dir_gap": 0.0, "standard_energy": -2.287908436682908, "B_ion": "Zn", "VB_dir": 5.6757247622396765, "VB_ind": 5.6757247622396765}


unique_id: 7efa898d055e1cbd460145869953e4a6
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ca", "anion": "O3", "combination": "ABO3", "CB_ind": 5.203154581212369, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.28, "CB_dir": 5.203154581212369, "gllbsc_dir_gap": 0.0, "standard_energy": -9.10564783244933, "B_ion": "Fe", "VB_dir": 5.203154581212369, "VB_ind": 5.203154581212369}


unique_id: ee6d42160deb678e4f7b870385558605
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Cs", "anion": "O3", "combination": "ABO3", "CB_ind": 5.48303455146621, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.84, "CB_dir": 5.48303455146621, "gllbsc_dir_gap": 0.0, "standard_energy": -3.1884373166702975, "B_ion": "As", "VB_dir": 5.48303455146621, "VB_ind": 5.48303455146621}


unique_id: 3efa42b66eecbc692ff7fd1f406c65ae
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "B", "anion": "O3", "combination": "ABO3", "CB_ind": 3.798339092096012, "gllbsc_ind_gap": 4.3, "heat_of_formation_all": 1.06, "CB_dir": 3.798339092096012, "gllbsc_dir_gap": 4.3, "standard_energy": -4.948189566216641, "B_ion": "Ta", "VB_dir": 8.118339092096011, "VB_ind": 8.118339092096011}


unique_id: decee9e817f251097f430b3287760063
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ir", "anion": "O3", "combination": "ABO3", "CB_ind": 6.336374534910691, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.78, "CB_dir": 6.336374534910691, "gllbsc_dir_gap": 0.0, "standard_energy": 1.5248128511275016, "B_ion": "Cu", "VB_dir": 6.336374534910691, "VB_ind": 6.336374534910691}


unique_id: d2b2d528f3d3b8f616df471739d82da8
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Cr", "anion": "O3", "combination": "ABO3", "CB_ind": 6.077425927363968, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.38, "CB_dir": 6.077425927363968, "gllbsc_dir_gap": 0.0, "standard_energy": -0.4547953582577957, "B_ion": "Hg", "VB_dir": 6.077425927363968, "VB_ind": 6.077425927363968}


unique_id: 420e97d28a1279ce798b5472e96691e5
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Nb", "anion": "O3", "combination": "ABO3", "CB_ind": 5.182959401041927, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 3.3, "CB_dir": 5.182959401041927, "gllbsc_dir_gap": 0.0, "standard_energy": 5.942413895787233, "B_ion": "Cs", "VB_dir": 5.182959401041927, "VB_ind": 5.182959401041927}


unique_id: a184cc8c1578436a0bb0ef15b01a7c22
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Cs", "anion": "O3", "combination": "ABO3", "CB_ind": 5.395448860228309, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.76, "CB_dir": 5.395448860228309, "gllbsc_dir_gap": 0.0, "standard_energy": -3.547734799027774, "B_ion": "Os", "VB_dir": 5.395448860228309, "VB_ind": 5.395448860228309}


unique_id: e8c95794b3712dc8b5d952bbfdf38cca
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Cd", "anion": "O3", "combination": "ABO3", "CB_ind": 6.093044149556359, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.56, "CB_dir": 6.093044149556359, "gllbsc_dir_gap": 0.0, "standard_energy": 0.43078041424518265, "B_ion": "Ag", "VB_dir": 6.093044149556359, "VB_ind": 6.093044149556359}


unique_id: 32f2f99cf13ec17c599cff831ec194ef
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "As", "anion": "O3", "combination": "ABO3", "CB_ind": 6.360389705329495, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.96, "CB_dir": 6.360389705329495, "gllbsc_dir_gap": 0.0, "standard_energy": -2.628188341087272, "B_ion": "Ge", "VB_dir": 6.360389705329495, "VB_ind": 6.360389705329495}


unique_id: ce32439f8feb73803e4814aba9d425f1
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "W", "anion": "O3", "combination": "ABO3", "CB_ind": 5.959084163907744, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.24, "CB_dir": 5.959084163907744, "gllbsc_dir_gap": 0.0, "standard_energy": -2.592088022651584, "B_ion": "Nb", "VB_dir": 5.959084163907744, "VB_ind": 5.959084163907744}


unique_id: a5050f11c1238d180e647a7e193976fa
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Al", "anion": "O3", "combination": "ABO3", "CB_ind": 6.020230987609793, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.94, "CB_dir": 6.020230987609793, "gllbsc_dir_gap": 0.0, "standard_energy": -0.9416869046770042, "B_ion": "Au", "VB_dir": 6.020230987609793, "VB_ind": 6.020230987609793}


unique_id: a2ce4d098eb59b5396532668348697ca
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Zr", "anion": "O3", "combination": "ABO3", "CB_ind": 5.490327726128859, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.5, "CB_dir": 5.490327726128859, "gllbsc_dir_gap": 0.0, "standard_energy": -11.736032225295716, "B_ion": "Al", "VB_dir": 5.490327726128859, "VB_ind": 5.490327726128859}


unique_id: edf8d14330e2062c8a580f0e931e995e
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Sn", "anion": "O3", "combination": "ABO3", "CB_ind": 6.018168843129987, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.78, "CB_dir": 6.018168843129987, "gllbsc_dir_gap": 0.0, "standard_energy": -3.4827167733858833, "B_ion": "Co", "VB_dir": 6.018168843129987, "VB_ind": 6.018168843129987}


unique_id: 8e99f67c0028cc9a8c83b42645f63807
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Cr", "anion": "O3", "combination": "ABO3", "CB_ind": 5.688422260027822, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.08, "CB_dir": 5.688422260027822, "gllbsc_dir_gap": 0.0, "standard_energy": -3.8323079862571117, "B_ion": "Mg", "VB_dir": 5.688422260027822, "VB_ind": 5.688422260027822}


unique_id: e28b7cc03c7f046e4a5113571a15abdc
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ba", "anion": "O3", "combination": "ABO3", "CB_ind": 5.525180206024256, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.42, "CB_dir": 5.525180206024256, "gllbsc_dir_gap": 0.0, "standard_energy": -7.566965104498459, "B_ion": "Ru", "VB_dir": 5.525180206024256, "VB_ind": 5.525180206024256}


unique_id: 6dedfc641a30401ee8802de6e8eb9b33
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Zn", "anion": "O3", "combination": "ABO3", "CB_ind": 6.3814596414153515, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.3, "CB_dir": 6.3814596414153515, "gllbsc_dir_gap": 0.0, "standard_energy": -1.1195794253799933, "B_ion": "Pt", "VB_dir": 6.3814596414153515, "VB_ind": 6.3814596414153515}


unique_id: e23b14d5c11f25af17d5094a99cb6238
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Na", "anion": "O3", "combination": "ABO3", "CB_ind": 5.820501783059941, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.34, "CB_dir": 5.820501783059941, "gllbsc_dir_gap": 0.0, "standard_energy": -1.1825847489585524, "B_ion": "Tl", "VB_dir": 5.820501783059941, "VB_ind": 5.820501783059941}


unique_id: 5b0cc1e032b509e463d113e6ca83a911
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ag", "anion": "O3", "combination": "ABO3", "CB_ind": 6.002358684591507, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.22, "CB_dir": 6.002358684591507, "gllbsc_dir_gap": 0.0, "standard_energy": -1.3014924007775734, "B_ion": "Bi", "VB_dir": 6.002358684591507, "VB_ind": 6.002358684591507}


unique_id: bced8951692cd084cf1d7b97330e163d
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Al", "anion": "O3", "combination": "ABO3", "CB_ind": 5.8242467233684305, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.72, "CB_dir": 5.8242467233684305, "gllbsc_dir_gap": 0.0, "standard_energy": -2.0839425460382284, "B_ion": "Os", "VB_dir": 5.8242467233684305, "VB_ind": 5.8242467233684305}


unique_id: b275cec5e2aeb9ac66de84a7dc3d18ce
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Be", "anion": "O3", "combination": "ABO3", "CB_ind": 4.224310462015402, "gllbsc_ind_gap": 4.2, "heat_of_formation_all": 1.24, "CB_dir": 3.829310462015402, "gllbsc_dir_gap": 5.0, "standard_energy": -6.774680316818243, "B_ion": "Si", "VB_dir": 8.779310462015403, "VB_ind": 8.384310462015403}


unique_id: 127f6ed9e516310127cdd7aba0c519d2
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ir", "anion": "O3", "combination": "ABO3", "CB_ind": 6.2280716685704265, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.56, "CB_dir": 6.2280716685704265, "gllbsc_dir_gap": 0.0, "standard_energy": 0.4062737880238245, "B_ion": "Bi", "VB_dir": 6.2280716685704265, "VB_ind": 6.2280716685704265}


unique_id: 5377b83c4a99d61aa7a033f353c67fd8
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Sb", "anion": "O3", "combination": "ABO3", "CB_ind": 6.193210889520926, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.76, "CB_dir": 6.193210889520926, "gllbsc_dir_gap": 0.0, "standard_energy": -3.5445947610735953, "B_ion": "Ni", "VB_dir": 6.193210889520926, "VB_ind": 6.193210889520926}


unique_id: 80912a3e3314c74bbe4ab6e14bab5601
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Cu", "anion": "O3", "combination": "ABO3", "CB_ind": 5.72312978980542, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.08, "CB_dir": 5.72312978980542, "gllbsc_dir_gap": 0.0, "standard_energy": -5.262582923951948, "B_ion": "Al", "VB_dir": 5.72312978980542, "VB_ind": 5.72312978980542}


unique_id: c53dd93f351c600e3e6f0c1323506e3d
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Al", "anion": "O3", "combination": "ABO3", "CB_ind": 5.478207679118199, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.96, "CB_dir": 5.478207679118199, "gllbsc_dir_gap": 0.0, "standard_energy": -6.510422213960696, "B_ion": "V", "VB_dir": 5.478207679118199, "VB_ind": 5.478207679118199}


unique_id: 8112afa07d162d088560e4cebe04fc06
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ti", "anion": "O3", "combination": "ABO3", "CB_ind": 6.04721310674084, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.46, "CB_dir": 6.04721310674084, "gllbsc_dir_gap": 0.0, "standard_energy": -3.9645890570338613, "B_ion": "Tl", "VB_dir": 6.04721310674084, "VB_ind": 6.04721310674084}


unique_id: d541c13d165bb61ed5ef7881d9077c35
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Fe", "anion": "O3", "combination": "ABO3", "CB_ind": 5.831390334932157, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.12, "CB_dir": 5.831390334932157, "gllbsc_dir_gap": 0.0, "standard_energy": -1.8106170746115868, "B_ion": "Pb", "VB_dir": 5.831390334932157, "VB_ind": 5.831390334932157}


unique_id: 34ce3e22ec7aa4f414b30ab895f21246
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Bi", "anion": "O3", "combination": "ABO3", "CB_ind": 5.69372157130057, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.46, "CB_dir": 5.69372157130057, "gllbsc_dir_gap": 0.0, "standard_energy": -10.18108593277091, "B_ion": "Hf", "VB_dir": 5.69372157130057, "VB_ind": 5.69372157130057}


unique_id: 2e616aaab0ffb91d98b0175967a7ebc9
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Mg", "anion": "O3", "combination": "ABO3", "CB_ind": 5.998347016810159, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.72, "CB_dir": 5.998347016810159, "gllbsc_dir_gap": 0.0, "standard_energy": -5.628533967265783, "B_ion": "Sb", "VB_dir": 5.998347016810159, "VB_ind": 5.998347016810159}


unique_id: 197bbe622840a4db878e04a34cc1228c
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ba", "anion": "O3", "combination": "ABO3", "CB_ind": 5.806829936979406, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.02, "CB_dir": 5.806829936979406, "gllbsc_dir_gap": 0.0, "standard_energy": -4.55163746337333, "B_ion": "Au", "VB_dir": 5.806829936979406, "VB_ind": 5.806829936979406}


unique_id: 43bd8e53c02b394ff7eaa923a4e44576
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ga", "anion": "O3", "combination": "ABO3", "CB_ind": 5.915100873670024, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.94, "CB_dir": 5.915100873670024, "gllbsc_dir_gap": 0.0, "standard_energy": -3.073265145992984, "B_ion": "As", "VB_dir": 5.915100873670024, "VB_ind": 5.915100873670024}


unique_id: f659b2b2b46ea6e8144a0016c06ae44e
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Li", "anion": "O3", "combination": "ABO3", "CB_ind": 5.601208552634178, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.42, "CB_dir": 5.601208552634178, "gllbsc_dir_gap": 0.0, "standard_energy": -3.7581490438573715, "B_ion": "B", "VB_dir": 5.601208552634178, "VB_ind": 5.601208552634178}


unique_id: bfcce112ed15a7775090b6f287ef78b8
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "B", "anion": "O3", "combination": "ABO3", "CB_ind": 5.670200811689336, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.44, "CB_dir": 5.670200811689336, "gllbsc_dir_gap": 0.0, "standard_energy": 2.3954619537089954, "B_ion": "Ga", "VB_dir": 5.670200811689336, "VB_ind": 5.670200811689336}


unique_id: 837e6ffda9702a9aefc147bce7792d9d
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "V", "anion": "O3", "combination": "ABO3", "CB_ind": 5.3494170536449355, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.58, "CB_dir": 5.3494170536449355, "gllbsc_dir_gap": 0.0, "standard_energy": 3.2218303376660433, "B_ion": "Na", "VB_dir": 5.3494170536449355, "VB_ind": 5.3494170536449355}


unique_id: c1e7287db7a0370b6e5dc6ef07aa300d
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Cd", "anion": "O3", "combination": "ABO3", "CB_ind": 6.082025914412081, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.06, "CB_dir": 6.082025914412081, "gllbsc_dir_gap": 0.0, "standard_energy": -2.060234062948869, "B_ion": "Ni", "VB_dir": 6.082025914412081, "VB_ind": 6.082025914412081}


unique_id: d2f3fef119882d10b15a297b6b7b32ad
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ti", "anion": "O3", "combination": "ABO3", "CB_ind": 5.798461887261696, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.48, "CB_dir": 5.798461887261696, "gllbsc_dir_gap": 0.0, "standard_energy": -3.849116028027482, "B_ion": "Pd", "VB_dir": 5.798461887261696, "VB_ind": 5.798461887261696}


unique_id: 7fcb077e365b595122ea1d407593281d
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Al", "anion": "O3", "combination": "ABO3", "CB_ind": 5.71544426995953, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.24, "CB_dir": 5.71544426995953, "gllbsc_dir_gap": 0.0, "standard_energy": -4.634823091957868, "B_ion": "Zn", "VB_dir": 5.71544426995953, "VB_ind": 5.71544426995953}


unique_id: 65aef4ba98b91a6ad2a8c1d620f31b5b
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Re", "anion": "O3", "combination": "ABO3", "CB_ind": 5.866932166899573, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.68, "CB_dir": 5.866932166899573, "gllbsc_dir_gap": 0.0, "standard_energy": 0.9976040009911564, "B_ion": "Fe", "VB_dir": 5.866932166899573, "VB_ind": 5.866932166899573}


unique_id: 32ca3be5cee9ea2b0470e3ae4e7194bf
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ge", "anion": "O3", "combination": "ABO3", "CB_ind": 5.549521149632908, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.84, "CB_dir": 5.549521149632908, "gllbsc_dir_gap": 0.0, "standard_energy": -0.3888038504994231, "B_ion": "Ba", "VB_dir": 5.549521149632908, "VB_ind": 5.549521149632908}


unique_id: c71c33396a38ebabf72e735635093db9
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Zr", "anion": "O3", "combination": "ABO3", "CB_ind": 4.038742707439852, "gllbsc_ind_gap": 3.3, "heat_of_formation_all": 0.56, "CB_dir": 3.9087427074398517, "gllbsc_dir_gap": 3.5, "standard_energy": -11.124537459682237, "B_ion": "Mg", "VB_dir": 7.4187427074398515, "VB_ind": 7.288742707439852}


unique_id: f1cc9e43dead8ab349d8e00a884848fc
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Cr", "anion": "O3", "combination": "ABO3", "CB_ind": 5.642168784402908, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.04, "CB_dir": 5.642168784402908, "gllbsc_dir_gap": 0.0, "standard_energy": -7.853038116737062, "B_ion": "V", "VB_dir": 5.642168784402908, "VB_ind": 5.642168784402908}


unique_id: 48fafedac754d1445ab0306c3e6437f9
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "V", "anion": "O3", "combination": "ABO3", "CB_ind": 5.861111571295052, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.28, "CB_dir": 5.861111571295052, "gllbsc_dir_gap": 0.0, "standard_energy": -1.7146998340851543, "B_ion": "Ru", "VB_dir": 5.861111571295052, "VB_ind": 5.861111571295052}


unique_id: 9b69154c584c60c30c6273d6fcb6fd30
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ca", "anion": "O3", "combination": "ABO3", "CB_ind": 5.121153287527866, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.78, "CB_dir": 5.121153287527866, "gllbsc_dir_gap": 0.0, "standard_energy": -8.477918447741109, "B_ion": "Mg", "VB_dir": 5.121153287527866, "VB_ind": 5.121153287527866}


unique_id: 9b8e00f463d1dde942a481de243c3828
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "W", "anion": "O3", "combination": "ABO3", "CB_ind": 5.353165772850118, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.88, "CB_dir": 5.353165772850118, "gllbsc_dir_gap": 0.0, "standard_energy": 1.9896089849235228, "B_ion": "Rb", "VB_dir": 5.353165772850118, "VB_ind": 5.353165772850118}


unique_id: 68caf042ab7d41e69255f8018583d380
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ba", "anion": "O3", "combination": "ABO3", "CB_ind": 5.164345573892317, "gllbsc_ind_gap": 1.2, "heat_of_formation_all": 0.22, "CB_dir": 5.164345573892317, "gllbsc_dir_gap": 1.2, "standard_energy": -8.515817670445232, "B_ion": "Te", "VB_dir": 6.334345573892317, "VB_ind": 6.334345573892317}


unique_id: f866ad7d6b4258fd3da54f06386255a0
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Li", "anion": "O3", "combination": "ABO3", "CB_ind": 3.663346425266382, "gllbsc_ind_gap": 3.7, "heat_of_formation_all": -0.06, "CB_dir": 3.303346425266382, "gllbsc_dir_gap": 4.4, "standard_energy": -10.432754420154575, "B_ion": "Nb", "VB_dir": 7.743346425266383, "VB_ind": 7.3833464252663825}


unique_id: 5e87f9d9d3204f7892e66a8a6e0a51c5
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Sr", "anion": "O3", "combination": "ABO3", "CB_ind": 5.438185579139812, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.84, "CB_dir": 5.438185579139812, "gllbsc_dir_gap": 0.0, "standard_energy": -5.839297497674768, "B_ion": "Pt", "VB_dir": 5.438185579139812, "VB_ind": 5.438185579139812}


unique_id: a94bae55fad05c47daf3e5f005967116
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Bi", "anion": "O3", "combination": "ABO3", "CB_ind": 5.991504438703276, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.72, "CB_dir": 5.991504438703276, "gllbsc_dir_gap": 0.0, "standard_energy": -3.82296961648788, "B_ion": "Ni", "VB_dir": 5.991504438703276, "VB_ind": 5.991504438703276}


unique_id: 599aef635665bf11c73749572f673df3
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Y", "anion": "O3", "combination": "ABO3", "CB_ind": 5.97043756825856, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.14, "CB_dir": 5.97043756825856, "gllbsc_dir_gap": 0.0, "standard_energy": -6.724980082459877, "B_ion": "Pt", "VB_dir": 5.97043756825856, "VB_ind": 5.97043756825856}


unique_id: 5fcc2413bee20112a02aa8ddb8cb5d9b
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Sc", "anion": "O3", "combination": "ABO3", "CB_ind": 5.534094308186759, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.34, "CB_dir": 5.534094308186759, "gllbsc_dir_gap": 0.0, "standard_energy": -13.959056473120881, "B_ion": "Zr", "VB_dir": 5.534094308186759, "VB_ind": 5.534094308186759}


unique_id: f117db8e0a2c49853c92f8a7e22ffa70
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ca", "anion": "O3", "combination": "ABO3", "CB_ind": 5.263264710969107, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.82, "CB_dir": 5.263264710969107, "gllbsc_dir_gap": 0.0, "standard_energy": -6.354961772399941, "B_ion": "Rh", "VB_dir": 5.263264710969107, "VB_ind": 5.263264710969107}


unique_id: 1166265e7392ffeb210a6a5fe8a235f0
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Mg", "anion": "O3", "combination": "ABO3", "CB_ind": 6.105741495032605, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.76, "CB_dir": 6.105741495032605, "gllbsc_dir_gap": 0.0, "standard_energy": -5.466113507753851, "B_ion": "As", "VB_dir": 6.105741495032605, "VB_ind": 6.105741495032605}


unique_id: 55ecbfb0cda062072fbd44871c7836c0
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Cs", "anion": "O3", "combination": "ABO3", "CB_ind": 5.020149891446966, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.3, "CB_dir": 5.020149891446966, "gllbsc_dir_gap": 0.0, "standard_energy": -11.012200658757012, "B_ion": "Hf", "VB_dir": 5.020149891446966, "VB_ind": 5.020149891446966}


unique_id: ac20dddabfe37fbd57309d468c318a95
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Sb", "anion": "O3", "combination": "ABO3", "CB_ind": 6.538234547627567, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.4, "CB_dir": 6.538234547627567, "gllbsc_dir_gap": 0.0, "standard_energy": -0.3578710980669886, "B_ion": "Au", "VB_dir": 6.538234547627567, "VB_ind": 6.538234547627567}


unique_id: 4bba0260fb0d6db452e94d0faad0f5a0
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "V", "anion": "O3", "combination": "ABO3", "CB_ind": 5.605288702756336, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.18, "CB_dir": 5.605288702756336, "gllbsc_dir_gap": 0.0, "standard_energy": -7.776868245963968, "B_ion": "V", "VB_dir": 5.605288702756336, "VB_ind": 5.605288702756336}


unique_id: 95d8bfeca309155256e62004e1e2b008
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ca", "anion": "O3", "combination": "ABO3", "CB_ind": 4.598861652055598, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.68, "CB_dir": 4.598861652055598, "gllbsc_dir_gap": 0.0, "standard_energy": -2.0866084552358775, "B_ion": "Cs", "VB_dir": 4.598861652055598, "VB_ind": 4.598861652055598}


unique_id: cff3bfc5d4b653c959c9b156eb9f1551
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Pb", "anion": "O3", "combination": "ABO3", "CB_ind": 4.29488640933703, "gllbsc_ind_gap": 3.5, "heat_of_formation_all": 0.48, "CB_dir": 3.3498864093370306, "gllbsc_dir_gap": 5.3, "standard_energy": -7.873265394580402, "B_ion": "Si", "VB_dir": 8.689886409337031, "VB_ind": 7.744886409337031}


unique_id: ffa63d989127d4fffdcb2704f256609c
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Sb", "anion": "O3", "combination": "ABO3", "CB_ind": 6.094394174106724, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.72, "CB_dir": 6.094394174106724, "gllbsc_dir_gap": 0.0, "standard_energy": -3.733579087494542, "B_ion": "Fe", "VB_dir": 6.094394174106724, "VB_ind": 6.094394174106724}


unique_id: 6f823785d44d5f21868c8636ba03bd67
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ge", "anion": "O3", "combination": "ABO3", "CB_ind": 6.341071536059615, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.56, "CB_dir": 6.341071536059615, "gllbsc_dir_gap": 0.0, "standard_energy": 0.44747614781997846, "B_ion": "Hg", "VB_dir": 6.341071536059615, "VB_ind": 6.341071536059615}


unique_id: 7e152916dcee0ed3c355ac6348ada0f2
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "W", "anion": "O3", "combination": "ABO3", "CB_ind": 6.095693526262528, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.82, "CB_dir": 6.095693526262528, "gllbsc_dir_gap": 0.0, "standard_energy": 1.7500074169211572, "B_ion": "Cu", "VB_dir": 6.095693526262528, "VB_ind": 6.095693526262528}


unique_id: 1cf32e96b860162a8eb84f6a4cd8ada2
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Be", "anion": "O3", "combination": "ABO3", "CB_ind": 6.327972009007702, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.66, "CB_dir": 6.327972009007702, "gllbsc_dir_gap": 0.0, "standard_energy": -1.837918685229111, "B_ion": "Sb", "VB_dir": 6.327972009007702, "VB_ind": 6.327972009007702}


unique_id: 3113a5833fc8cd6bcecf8bfc921780ca
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Os", "anion": "O3", "combination": "ABO3", "CB_ind": 5.687320848638912, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.96, "CB_dir": 5.687320848638912, "gllbsc_dir_gap": 0.0, "standard_energy": 6.990421589052639, "B_ion": "Na", "VB_dir": 5.687320848638912, "VB_ind": 5.687320848638912}


unique_id: d57d3b98d07b4469bf0214baf5035150
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ti", "anion": "O3", "combination": "ABO3", "CB_ind": 5.0318724940730775, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 3.0, "CB_dir": 5.0318724940730775, "gllbsc_dir_gap": 0.0, "standard_energy": 3.7708634589219416, "B_ion": "Cs", "VB_dir": 5.0318724940730775, "VB_ind": 5.0318724940730775}


unique_id: ce10a638b28e5640e0540a40eac8ce26
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Co", "anion": "O3", "combination": "ABO3", "CB_ind": 5.901787907965195, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.04, "CB_dir": 5.901787907965195, "gllbsc_dir_gap": 0.0, "standard_energy": -2.1736193792920933, "B_ion": "Mo", "VB_dir": 5.901787907965195, "VB_ind": 5.901787907965195}


unique_id: be8cb0c795a9cb0c6e66abdd713078fe
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Sr", "anion": "O3", "combination": "ABO3", "CB_ind": 5.11493072565859, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.1, "CB_dir": 5.11493072565859, "gllbsc_dir_gap": 0.0, "standard_energy": -13.068064022052438, "B_ion": "Ta", "VB_dir": 5.11493072565859, "VB_ind": 5.11493072565859}


unique_id: d80f5cc6d98569c0bccadba6868fef67
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "La", "anion": "O3", "combination": "ABO3", "CB_ind": 5.633378210269858, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.4, "CB_dir": 5.633378210269858, "gllbsc_dir_gap": 0.0, "standard_energy": -9.53491488691585, "B_ion": "W", "VB_dir": 5.633378210269858, "VB_ind": 5.633378210269858}


unique_id: e4eb1fc5c7044aef2776113cbe985c7e
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Li", "anion": "O3", "combination": "ABO3", "CB_ind": 3.2206910614377433, "gllbsc_ind_gap": 4.7, "heat_of_formation_all": -0.32, "CB_dir": 2.8556910614377435, "gllbsc_dir_gap": 5.4, "standard_energy": -11.634633824850384, "B_ion": "Ta", "VB_dir": 8.245691061437743, "VB_ind": 7.8806910614377434}


unique_id: 76030fd808f1c2eda518db818d1ff085
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Co", "anion": "O3", "combination": "ABO3", "CB_ind": 6.067730449808541, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.74, "CB_dir": 6.067730449808541, "gllbsc_dir_gap": 0.0, "standard_energy": 1.2939467053224707, "B_ion": "Cu", "VB_dir": 6.067730449808541, "VB_ind": 6.067730449808541}


unique_id: 8af22ee230b31a2712a5bdb76ae61a9b
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Cs", "anion": "O3", "combination": "ABO3", "CB_ind": 4.953634339657629, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.8, "CB_dir": 4.953634339657629, "gllbsc_dir_gap": 0.0, "standard_energy": -8.498994642927821, "B_ion": "Y", "VB_dir": 4.953634339657629, "VB_ind": 4.953634339657629}


unique_id: 1292d076d20e00834d7a7b77efd30b26
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Hf", "anion": "O3", "combination": "ABO3", "CB_ind": 5.69372157130057, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.36, "CB_dir": 5.69372157130057, "gllbsc_dir_gap": 0.0, "standard_energy": -5.707789044754678, "B_ion": "Bi", "VB_dir": 5.69372157130057, "VB_ind": 5.69372157130057}


unique_id: 23c90998c5ad56e737d1c8bf61b12274
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "W", "anion": "O3", "combination": "ABO3", "CB_ind": 6.348658840495298, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.56, "CB_dir": 6.348658840495298, "gllbsc_dir_gap": 0.0, "standard_energy": 0.46188286018515257, "B_ion": "Tl", "VB_dir": 6.348658840495298, "VB_ind": 6.348658840495298}


unique_id: 727eaca68eebdabc1fa205004c86782c
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "B", "anion": "O3", "combination": "ABO3", "CB_ind": 5.666652498013475, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.6, "CB_dir": 5.666652498013475, "gllbsc_dir_gap": 0.0, "standard_energy": -1.539835771834868, "B_ion": "Y", "VB_dir": 5.666652498013475, "VB_ind": 5.666652498013475}


unique_id: f37ceb0795c020cc1c57158eda303507
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Li", "anion": "O3", "combination": "ABO3", "CB_ind": 5.629642545040163, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.0, "CB_dir": 5.629642545040163, "gllbsc_dir_gap": 0.0, "standard_energy": -8.750082106127417, "B_ion": "W", "VB_dir": 5.629642545040163, "VB_ind": 5.629642545040163}


unique_id: e4e91ac87bb779f295b870f06540aac3
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Re", "anion": "O3", "combination": "ABO3", "CB_ind": 5.881312075161984, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.56, "CB_dir": 5.881312075161984, "gllbsc_dir_gap": 0.0, "standard_energy": 0.4221004905479262, "B_ion": "Bi", "VB_dir": 5.881312075161984, "VB_ind": 5.881312075161984}


unique_id: 9d11476d8c39d397fbdfa78424a437e1
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Hg", "anion": "O3", "combination": "ABO3", "CB_ind": 6.256115779379952, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.38, "CB_dir": 6.256115779379952, "gllbsc_dir_gap": 0.0, "standard_energy": -0.5190053921164655, "B_ion": "Rh", "VB_dir": 6.256115779379952, "VB_ind": 6.256115779379952}


unique_id: b489fc95a249251a60ebf3c40ff89a00
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Na", "anion": "O3", "combination": "ABO3", "CB_ind": 5.568477805545808, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.02, "CB_dir": 5.568477805545808, "gllbsc_dir_gap": 0.0, "standard_energy": -2.7015790811198546, "B_ion": "Ni", "VB_dir": 5.568477805545808, "VB_ind": 5.568477805545808}


unique_id: 946e68e42dd3ce083c63fe6e04d0be1d
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "K", "anion": "O3", "combination": "ABO3", "CB_ind": 5.211330861326397, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.08, "CB_dir": 5.211330861326397, "gllbsc_dir_gap": 0.0, "standard_energy": -7.092658518643249, "B_ion": "Cr", "VB_dir": 5.211330861326397, "VB_ind": 5.211330861326397}


unique_id: 39fb4ab153efece6d0f8f6a53c5f4c67
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Pt", "anion": "O3", "combination": "ABO3", "CB_ind": 6.588432871766948, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.98, "CB_dir": 6.588432871766948, "gllbsc_dir_gap": 0.0, "standard_energy": 2.5013462507376576, "B_ion": "Hg", "VB_dir": 6.588432871766948, "VB_ind": 6.588432871766948}


unique_id: 8327b3fca4deb528656b8a59b3632ff6
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ta", "anion": "O3", "combination": "ABO3", "CB_ind": 5.752998452675573, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.44, "CB_dir": 5.752998452675573, "gllbsc_dir_gap": 0.0, "standard_energy": -6.6807458806492335, "B_ion": "V", "VB_dir": 5.752998452675573, "VB_ind": 5.752998452675573}


unique_id: f0b72f1bcedda9fdf7406c236bffe853
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Si", "anion": "O3", "combination": "ABO3", "CB_ind": 5.975918003279072, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.04, "CB_dir": 5.975918003279072, "gllbsc_dir_gap": 0.0, "standard_energy": -1.964630405216722, "B_ion": "Mg", "VB_dir": 5.975918003279072, "VB_ind": 5.975918003279072}


unique_id: dfc672cdad2a9c2e76b35ec3b2300c98
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ni", "anion": "O3", "combination": "ABO3", "CB_ind": 6.313581229822549, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.7, "CB_dir": 6.313581229822549, "gllbsc_dir_gap": 0.0, "standard_energy": 1.0835241315509805, "B_ion": "Ir", "VB_dir": 6.313581229822549, "VB_ind": 6.313581229822549}


unique_id: 866d7d2e4a4ecc6a5fb9379b422b3e72
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ti", "anion": "O3", "combination": "ABO3", "CB_ind": 5.475075320043223, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.6, "CB_dir": 5.475075320043223, "gllbsc_dir_gap": 0.0, "standard_energy": -12.095528975484143, "B_ion": "Sc", "VB_dir": 5.475075320043223, "VB_ind": 5.475075320043223}


unique_id: 5f8f4b1f16c09ad514ee552b1c3bf444
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Hf", "anion": "O3", "combination": "ABO3", "CB_ind": 5.895079052799491, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.54, "CB_dir": 5.895079052799491, "gllbsc_dir_gap": 0.0, "standard_energy": -4.827645077973939, "B_ion": "Os", "VB_dir": 5.895079052799491, "VB_ind": 5.895079052799491}


unique_id: aef557be28dd93c23d65fbb00b9bb904
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Cs", "anion": "O3", "combination": "ABO3", "CB_ind": 4.896425012763628, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.88, "CB_dir": 4.896425012763628, "gllbsc_dir_gap": 0.0, "standard_energy": 0.6652803260504492, "B_ion": "Li", "VB_dir": 4.896425012763628, "VB_ind": 4.896425012763628}


unique_id: 8c3119c631dd6beaac3a2caa55af2c19
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Rb", "anion": "O3", "combination": "ABO3", "CB_ind": 4.991056612094879, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.72, "CB_dir": 4.991056612094879, "gllbsc_dir_gap": 0.0, "standard_energy": -3.742708512679054, "B_ion": "In", "VB_dir": 4.991056612094879, "VB_ind": 4.991056612094879}


unique_id: c53716b20829a2d93a95c30bd52146d0
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Zr", "anion": "O3", "combination": "ABO3", "CB_ind": 5.361252162857196, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.3, "CB_dir": 5.361252162857196, "gllbsc_dir_gap": 0.0, "standard_energy": -5.956033685172726, "B_ion": "Na", "VB_dir": 5.361252162857196, "VB_ind": 5.361252162857196}


unique_id: 365b843de5cca3a91e10ba6da4c53322
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ru", "anion": "O3", "combination": "ABO3", "CB_ind": 5.861111571295052, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.88, "CB_dir": 5.861111571295052, "gllbsc_dir_gap": 0.0, "standard_energy": -3.703353350836375, "B_ion": "V", "VB_dir": 5.861111571295052, "VB_ind": 5.861111571295052}


unique_id: dd5bbe1ffce7b5dd74c3e0bf0108904e
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Mn", "anion": "O3", "combination": "ABO3", "CB_ind": 6.200414687209265, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.4, "CB_dir": 6.200414687209265, "gllbsc_dir_gap": 0.0, "standard_energy": -0.39807446198249785, "B_ion": "Au", "VB_dir": 6.200414687209265, "VB_ind": 6.200414687209265}


unique_id: fb94b94334547c50ecd128f763c8a537
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ta", "anion": "O3", "combination": "ABO3", "CB_ind": 5.893034230745451, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.18, "CB_dir": 5.893034230745451, "gllbsc_dir_gap": 0.0, "standard_energy": -2.7944791249338437, "B_ion": "Fe", "VB_dir": 5.893034230745451, "VB_ind": 5.893034230745451}


unique_id: 8b677c34280635b4cc1b125a59104089
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Cr", "anion": "O3", "combination": "ABO3", "CB_ind": 5.514251629251118, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.58, "CB_dir": 5.514251629251118, "gllbsc_dir_gap": 0.0, "standard_energy": -7.729127979028037, "B_ion": "Al", "VB_dir": 5.514251629251118, "VB_ind": 5.514251629251118}


unique_id: 4d06aea56addd35996214b746f69c2eb
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Au", "anion": "O3", "combination": "ABO3", "CB_ind": 5.582088074327044, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.02, "CB_dir": 5.582088074327044, "gllbsc_dir_gap": 0.0, "standard_energy": -0.3655914578350892, "B_ion": "Ca", "VB_dir": 5.582088074327044, "VB_ind": 5.582088074327044}


unique_id: 237f9c139c1f78e3e25fdd9410bd78b3
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Cr", "anion": "O3", "combination": "ABO3", "CB_ind": 5.873217835891757, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.08, "CB_dir": 5.873217835891757, "gllbsc_dir_gap": 0.0, "standard_energy": -1.965239354756724, "B_ion": "Ni", "VB_dir": 5.873217835891757, "VB_ind": 5.873217835891757}


unique_id: 499f286f19cbf6a9434ee85f9f56b0be
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "W", "anion": "O3", "combination": "ABO3", "CB_ind": 6.3670543936717205, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.8, "CB_dir": 6.3670543936717205, "gllbsc_dir_gap": 0.0, "standard_energy": 1.639685318847894, "B_ion": "Pt", "VB_dir": 6.3670543936717205, "VB_ind": 6.3670543936717205}


unique_id: 4ab23e5e8e005e7b3ec1a7c91dea9d26
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Tl", "anion": "O3", "combination": "ABO3", "CB_ind": 5.5268285297681, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.46, "CB_dir": 5.5268285297681, "gllbsc_dir_gap": 0.0, "standard_energy": -3.1437096191633476, "B_ion": "Ca", "VB_dir": 5.5268285297681, "VB_ind": 5.5268285297681}


unique_id: 4497f7dc37431bac5fdb9a1ecf78d93b
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "La", "anion": "O3", "combination": "ABO3", "CB_ind": 5.303339518004566, "gllbsc_ind_gap": 1.2, "heat_of_formation_all": 0.7, "CB_dir": 4.843339518004566, "gllbsc_dir_gap": 2.1, "standard_energy": -7.972968299139608, "B_ion": "Tl", "VB_dir": 6.933339518004566, "VB_ind": 6.473339518004566}


unique_id: cfc5fc8cfc98685a45a2ad0a695c0d86
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Y", "anion": "O3", "combination": "ABO3", "CB_ind": 5.516217425764367, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.68, "CB_dir": 5.516217425764367, "gllbsc_dir_gap": 0.0, "standard_energy": -10.917351084775122, "B_ion": "Mg", "VB_dir": 5.516217425764367, "VB_ind": 5.516217425764367}


unique_id: 7e3779a48d7de5e8d249003595555dfb
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Pt", "anion": "O3", "combination": "ABO3", "CB_ind": 6.337846490087024, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.66, "CB_dir": 6.337846490087024, "gllbsc_dir_gap": 0.0, "standard_energy": 0.9553604511835188, "B_ion": "Rh", "VB_dir": 6.337846490087024, "VB_ind": 6.337846490087024}


unique_id: 1297c444c9cdab5549f084b40cdc54f3
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ga", "anion": "O3", "combination": "ABO3", "CB_ind": 5.350667794266503, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.78, "CB_dir": 5.350667794266503, "gllbsc_dir_gap": 0.0, "standard_energy": -7.0783148812551495, "B_ion": "Al", "VB_dir": 5.350667794266503, "VB_ind": 5.350667794266503}


unique_id: ef0a443c4f04f9598f21d5e3d7bb3ef2
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ni", "anion": "O3", "combination": "ABO3", "CB_ind": 5.988586023076159, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.38, "CB_dir": 5.988586023076159, "gllbsc_dir_gap": 0.0, "standard_energy": -6.802941127189509, "B_ion": "Ta", "VB_dir": 5.988586023076159, "VB_ind": 5.988586023076159}


unique_id: 5eb78555261ee0dc7baa4aa963023374
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Sn", "anion": "O3", "combination": "ABO3", "CB_ind": 6.0459035154041585, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.32, "CB_dir": 6.0459035154041585, "gllbsc_dir_gap": 0.0, "standard_energy": -5.818138342295979, "B_ion": "W", "VB_dir": 6.0459035154041585, "VB_ind": 6.0459035154041585}


unique_id: cf249ea375a14555cce4180f2c8c7fc9
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Pb", "anion": "O3", "combination": "ABO3", "CB_ind": 5.258113775618372, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.02, "CB_dir": 5.258113775618372, "gllbsc_dir_gap": 0.0, "standard_energy": 2.5868579454803537, "B_ion": "K", "VB_dir": 5.258113775618372, "VB_ind": 5.258113775618372}


unique_id: 4bec9411122625f591ac280d85d22697
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Cs", "anion": "O3", "combination": "ABO3", "CB_ind": 5.366451382746126, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.08, "CB_dir": 5.366451382746126, "gllbsc_dir_gap": 0.0, "standard_energy": -4.876429527880434, "B_ion": "Si", "VB_dir": 5.366451382746126, "VB_ind": 5.366451382746126}


unique_id: e45a42c391cffd7e4d06980b0298b165
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Tl", "anion": "O3", "combination": "ABO3", "CB_ind": 6.247361851729006, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.76, "CB_dir": 6.247361851729006, "gllbsc_dir_gap": 0.0, "standard_energy": -3.5513153900081935, "B_ion": "Fe", "VB_dir": 6.247361851729006, "VB_ind": 6.247361851729006}


unique_id: d8dc87ce465174d29825f85da630c1cc
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Hf", "anion": "O3", "combination": "ABO3", "CB_ind": 5.662912611741364, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.68, "CB_dir": 5.662912611741364, "gllbsc_dir_gap": 0.0, "standard_energy": -9.845889919659664, "B_ion": "Nb", "VB_dir": 5.662912611741364, "VB_ind": 5.662912611741364}


unique_id: be054d85202db6b530cb3b2e69355f62
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Li", "anion": "O3", "combination": "ABO3", "CB_ind": 4.995205482404753, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.54, "CB_dir": 4.995205482404753, "gllbsc_dir_gap": 0.0, "standard_energy": 3.802204314752667, "B_ion": "K", "VB_dir": 4.995205482404753, "VB_ind": 4.995205482404753}


unique_id: 2de58097bd8947c76078f2b11e31406a
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Sc", "anion": "O3", "combination": "ABO3", "CB_ind": 5.773893670455497, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.36, "CB_dir": 5.773893670455497, "gllbsc_dir_gap": 0.0, "standard_energy": -5.451142966354206, "B_ion": "Ru", "VB_dir": 5.773893670455497, "VB_ind": 5.773893670455497}


unique_id: 7148237e7ecdbb144e542a0e21db4869
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Hg", "anion": "O3", "combination": "ABO3", "CB_ind": 5.691648155016515, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.86, "CB_dir": 5.691648155016515, "gllbsc_dir_gap": 0.0, "standard_energy": -0.34530028153166836, "B_ion": "Ba", "VB_dir": 5.691648155016515, "VB_ind": 5.691648155016515}


unique_id: 7c66625fe5d4c75bb71a1d12da5af69e
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Fe", "anion": "O3", "combination": "ABO3", "CB_ind": 5.6115546773981855, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.78, "CB_dir": 5.6115546773981855, "gllbsc_dir_gap": 0.0, "standard_energy": -6.788453166824299, "B_ion": "Al", "VB_dir": 5.6115546773981855, "VB_ind": 5.6115546773981855}


unique_id: 55a9c512e7ec1e70c09a9ebdb9656dfc
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Mg", "anion": "O3", "combination": "ABO3", "CB_ind": 5.7889039362546555, "gllbsc_ind_gap": 0.7, "heat_of_formation_all": 0.7, "CB_dir": 5.7889039362546555, "gllbsc_dir_gap": 0.7, "standard_energy": -5.794210499906539, "B_ion": "Te", "VB_dir": 6.508903936254656, "VB_ind": 6.508903936254656}


unique_id: 5ff2929f2b3d0bb2d52f8942149193ce
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Zr", "anion": "O3", "combination": "ABO3", "CB_ind": 5.940440536779359, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.06, "CB_dir": 5.940440536779359, "gllbsc_dir_gap": 0.0, "standard_energy": -8.1244747618276, "B_ion": "Si", "VB_dir": 5.940440536779359, "VB_ind": 5.940440536779359}


unique_id: b489203d7f84301b6d2b418589ea76d7
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Hg", "anion": "O3", "combination": "ABO3", "CB_ind": 6.037700783901089, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.48, "CB_dir": 6.037700783901089, "gllbsc_dir_gap": 0.0, "standard_energy": -5.65703887407466, "B_ion": "V", "VB_dir": 6.037700783901089, "VB_ind": 6.037700783901089}


unique_id: 6e532bf6b6a823860cf15e9049d48fe2
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Si", "anion": "O3", "combination": "ABO3", "CB_ind": 6.141749050727387, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.76, "CB_dir": 6.141749050727387, "gllbsc_dir_gap": 0.0, "standard_energy": -1.5431186176896805, "B_ion": "Rh", "VB_dir": 6.141749050727387, "VB_ind": 6.141749050727387}


unique_id: 2bd606c64ab5bac802447d422a540853
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Au", "anion": "O3", "combination": "ABO3", "CB_ind": 6.159885626728299, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.74, "CB_dir": 6.159885626728299, "gllbsc_dir_gap": 0.0, "standard_energy": -4.370893728312522, "B_ion": "V", "VB_dir": 6.159885626728299, "VB_ind": 6.159885626728299}


unique_id: 96fb7cb7678266e05d633206603f43c8
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Rb", "anion": "O3", "combination": "ABO3", "CB_ind": 4.718058578341317, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.98, "CB_dir": 4.718058578341317, "gllbsc_dir_gap": 0.0, "standard_energy": 2.489987520613405, "B_ion": "Rb", "VB_dir": 4.718058578341317, "VB_ind": 4.718058578341317}


unique_id: 37b81282d446b0c332fff6ab07853f2b
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ti", "anion": "O3", "combination": "ABO3", "CB_ind": 6.01380104407646, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.86, "CB_dir": 6.01380104407646, "gllbsc_dir_gap": 0.0, "standard_energy": -1.947268813721986, "B_ion": "Ir", "VB_dir": 6.01380104407646, "VB_ind": 6.01380104407646}


unique_id: 98657691665ef6291eb537ddeea5b9f2
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Cr", "anion": "O3", "combination": "ABO3", "CB_ind": 5.765200932699766, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.6, "CB_dir": 5.765200932699766, "gllbsc_dir_gap": 0.0, "standard_energy": -4.356653821787873, "B_ion": "Re", "VB_dir": 5.765200932699766, "VB_ind": 5.765200932699766}


unique_id: 9cbf6e67b38c2521e552cfdd4ef54efb
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Te", "anion": "O3", "combination": "ABO3", "CB_ind": 6.635993065167683, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.3, "CB_dir": 6.635993065167683, "gllbsc_dir_gap": 0.0, "standard_energy": -0.9120348843666495, "B_ion": "Tl", "VB_dir": 6.635993065167683, "VB_ind": 6.635993065167683}


unique_id: cb4364425e3138feed63d7f276127206
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ag", "anion": "O3", "combination": "ABO3", "CB_ind": 4.224434981944887, "gllbsc_ind_gap": 3.6, "heat_of_formation_all": -0.04, "CB_dir": 3.854434981944887, "gllbsc_dir_gap": 4.3, "standard_energy": -8.870485121571287, "B_ion": "Ta", "VB_dir": 8.144434981944887, "VB_ind": 7.7744349819448875}


unique_id: 6defd1ce42c8095a73bebab214046ea6
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ag", "anion": "O3", "combination": "ABO3", "CB_ind": 6.095792479113563, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.96, "CB_dir": 6.095792479113563, "gllbsc_dir_gap": 0.0, "standard_energy": 2.4206545784865225, "B_ion": "Ag", "VB_dir": 6.095792479113563, "VB_ind": 6.095792479113563}


unique_id: 8d2ad779d3785335a9af9f63ffbddb77
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ge", "anion": "O3", "combination": "ABO3", "CB_ind": 6.099893367727062, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.98, "CB_dir": 6.099893367727062, "gllbsc_dir_gap": 0.0, "standard_energy": -2.431413589421515, "B_ion": "Co", "VB_dir": 6.099893367727062, "VB_ind": 6.099893367727062}


unique_id: 503e10977e092b0b3d7c43ec7b53ce39
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Tl", "anion": "O3", "combination": "ABO3", "CB_ind": 6.635993065167683, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.78, "CB_dir": 6.635993065167683, "gllbsc_dir_gap": 0.0, "standard_energy": -3.4441814492637537, "B_ion": "Te", "VB_dir": 6.635993065167683, "VB_ind": 6.635993065167683}


unique_id: 2eb8c046078d8c62d44cce9a99414939
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Bi", "anion": "O3", "combination": "ABO3", "CB_ind": 6.00506001722674, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.78, "CB_dir": 6.00506001722674, "gllbsc_dir_gap": 0.0, "standard_energy": -3.691202139530544, "B_ion": "Zn", "VB_dir": 6.00506001722674, "VB_ind": 6.00506001722674}


unique_id: 620955a70840b14a66e260cf4c73e0da
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ca", "anion": "O3", "combination": "ABO3", "CB_ind": 2.051343324676353, "gllbsc_ind_gap": 6.6, "heat_of_formation_all": 0.1, "CB_dir": 1.7113433246763528, "gllbsc_dir_gap": 7.3, "standard_energy": -12.853052267614038, "B_ion": "Si", "VB_dir": 9.031343324676353, "VB_ind": 8.691343324676353}


unique_id: 6b8349d89b1fd033bf4ddd0e537aa840
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "K", "anion": "O3", "combination": "ABO3", "CB_ind": 5.633191662212946, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.38, "CB_dir": 5.633191662212946, "gllbsc_dir_gap": 0.0, "standard_energy": -5.56104415909539, "B_ion": "Te", "VB_dir": 5.633191662212946, "VB_ind": 5.633191662212946}


unique_id: 573e4ede4cc262f5644a21516c3a9d6e
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ir", "anion": "O3", "combination": "ABO3", "CB_ind": 6.448326349111762, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.06, "CB_dir": 6.448326349111762, "gllbsc_dir_gap": 0.0, "standard_energy": 2.9215397221027306, "B_ion": "Os", "VB_dir": 6.448326349111762, "VB_ind": 6.448326349111762}


unique_id: 2a368f6f8d74e443ecb2e30469b2da9a
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "K", "anion": "O3", "combination": "ABO3", "CB_ind": 5.188721197668132, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.12, "CB_dir": 5.188721197668132, "gllbsc_dir_gap": 0.0, "standard_energy": -11.589418205833965, "B_ion": "Zr", "VB_dir": 5.188721197668132, "VB_ind": 5.188721197668132}


unique_id: 7cc373004f86e037c03184f311c2b99a
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Cu", "anion": "O3", "combination": "ABO3", "CB_ind": 6.150128002838291, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.94, "CB_dir": 6.150128002838291, "gllbsc_dir_gap": 0.0, "standard_energy": -2.702928521441999, "B_ion": "Ge", "VB_dir": 6.150128002838291, "VB_ind": 6.150128002838291}


unique_id: ee5831b7037d86800b4aeda0d367f4eb
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Hf", "anion": "O3", "combination": "ABO3", "CB_ind": 5.0247261523684665, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.2, "CB_dir": 5.0247261523684665, "gllbsc_dir_gap": 0.0, "standard_energy": -9.634946755033292, "B_ion": "Ca", "VB_dir": 5.0247261523684665, "VB_ind": 5.0247261523684665}


unique_id: e4f0a365759e8e396fec58f1d9875817
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Hg", "anion": "O3", "combination": "ABO3", "CB_ind": 6.0871967590677105, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.34, "CB_dir": 6.0871967590677105, "gllbsc_dir_gap": 0.0, "standard_energy": -2.5489583037524586, "B_ion": "Mg", "VB_dir": 6.0871967590677105, "VB_ind": 6.0871967590677105}


unique_id: e4a6f90ba2194a625b376ec0953ebaef
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Au", "anion": "O3", "combination": "ABO3", "CB_ind": 6.2592899478533255, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.72, "CB_dir": 6.2592899478533255, "gllbsc_dir_gap": 0.0, "standard_energy": -3.735122183501888, "B_ion": "Mo", "VB_dir": 6.2592899478533255, "VB_ind": 6.2592899478533255}


unique_id: 6475a01a3efd6d4ddd0f8ed38cedc819
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Rh", "anion": "O3", "combination": "ABO3", "CB_ind": 5.607535935734677, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.28, "CB_dir": 5.607535935734677, "gllbsc_dir_gap": 0.0, "standard_energy": -5.108257816531228, "B_ion": "La", "VB_dir": 5.607535935734677, "VB_ind": 5.607535935734677}


unique_id: 26ecd3906eb28e300200646b2f09fc2f
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Y", "anion": "O3", "combination": "ABO3", "CB_ind": 5.715980323642376, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.82, "CB_dir": 5.715980323642376, "gllbsc_dir_gap": 0.0, "standard_energy": -8.372864542115122, "B_ion": "Cu", "VB_dir": 5.715980323642376, "VB_ind": 5.715980323642376}


unique_id: 32e1c79e69c0b3c2476a9d9c173ab8fd
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Rb", "anion": "O3", "combination": "ABO3", "CB_ind": 5.377280108607546, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.68, "CB_dir": 5.377280108607546, "gllbsc_dir_gap": 0.0, "standard_energy": -3.9513701730052415, "B_ion": "Ru", "VB_dir": 5.377280108607546, "VB_ind": 5.377280108607546}


unique_id: 3768c79fc0daec1fe472b9791223f04a
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ge", "anion": "O3", "combination": "ABO3", "CB_ind": 6.4053522945627535, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.28, "CB_dir": 6.4053522945627535, "gllbsc_dir_gap": 0.0, "standard_energy": -0.9694997066371851, "B_ion": "Tl", "VB_dir": 6.4053522945627535, "VB_ind": 6.4053522945627535}


unique_id: 57c0b571fbc720683b9f3349d1679607
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ga", "anion": "O3", "combination": "ABO3", "CB_ind": 5.621799412111158, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.08, "CB_dir": 5.621799412111158, "gllbsc_dir_gap": 0.0, "standard_energy": -2.2878493904745643, "B_ion": "Bi", "VB_dir": 5.621799412111158, "VB_ind": 5.621799412111158}


unique_id: bca29395f50d099063c158e6ab1f4318
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Mg", "anion": "O3", "combination": "ABO3", "CB_ind": 5.893317420358752, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.4, "CB_dir": 5.893317420358752, "gllbsc_dir_gap": 0.0, "standard_energy": -2.229182384941161, "B_ion": "Ag", "VB_dir": 5.893317420358752, "VB_ind": 5.893317420358752}


unique_id: 311f94cbddf180cdd96571bc878c73bf
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ru", "anion": "O3", "combination": "ABO3", "CB_ind": 6.123152717067377, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.84, "CB_dir": 6.123152717067377, "gllbsc_dir_gap": 0.0, "standard_energy": 1.8455181119699304, "B_ion": "Cu", "VB_dir": 6.123152717067377, "VB_ind": 6.123152717067377}


unique_id: 5ac63dd65eea53550c1749d5272de143
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Pt", "anion": "O3", "combination": "ABO3", "CB_ind": 6.050606374037622, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.24, "CB_dir": 6.050606374037622, "gllbsc_dir_gap": 0.0, "standard_energy": -6.331790441838071, "B_ion": "Hf", "VB_dir": 6.050606374037622, "VB_ind": 6.050606374037622}


unique_id: 8d4be382e1eecb8c188d876d8f4bed64
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Pd", "anion": "O3", "combination": "ABO3", "CB_ind": 6.327865496320339, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.64, "CB_dir": 6.327865496320339, "gllbsc_dir_gap": 0.0, "standard_energy": 0.8626818218331147, "B_ion": "Ir", "VB_dir": 6.327865496320339, "VB_ind": 6.327865496320339}


unique_id: a7740520d8c5385e600948d17185cea4
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Nb", "anion": "O3", "combination": "ABO3", "CB_ind": 6.291064626687667, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.72, "CB_dir": 6.291064626687667, "gllbsc_dir_gap": 0.0, "standard_energy": -0.10284130887625231, "B_ion": "Au", "VB_dir": 6.291064626687667, "VB_ind": 6.291064626687667}


unique_id: 58c808b11070984c25bb395aca6e1959
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Rb", "anion": "O3", "combination": "ABO3", "CB_ind": 5.458439548608237, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.24, "CB_dir": 5.458439548608237, "gllbsc_dir_gap": 0.0, "standard_energy": -6.205355151557144, "B_ion": "Sb", "VB_dir": 5.458439548608237, "VB_ind": 5.458439548608237}


unique_id: debae90baa674820f2dbca8a1e630df4
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Re", "anion": "O3", "combination": "ABO3", "CB_ind": 5.972861636397204, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.64, "CB_dir": 5.972861636397204, "gllbsc_dir_gap": 0.0, "standard_energy": 5.7962366062697175, "B_ion": "Ag", "VB_dir": 5.972861636397204, "VB_ind": 5.972861636397204}


unique_id: 5d41c32f657aaeaebce22b66a2322d87
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Zr", "anion": "O3", "combination": "ABO3", "CB_ind": 5.754432089895426, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.0, "CB_dir": 5.754432089895426, "gllbsc_dir_gap": 0.0, "standard_energy": -7.054585132855951, "B_ion": "Fe", "VB_dir": 5.754432089895426, "VB_ind": 5.754432089895426}


unique_id: 6164d3d700c60e1bdd742fcd1d4c1cba
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Rh", "anion": "O3", "combination": "ABO3", "CB_ind": 6.054125536070043, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.14, "CB_dir": 6.054125536070043, "gllbsc_dir_gap": 0.0, "standard_energy": 3.3669085256013083, "B_ion": "Cd", "VB_dir": 6.054125536070043, "VB_ind": 6.054125536070043}


unique_id: ba2428f4201b1bf12a3e542035e69a29
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "V", "anion": "O3", "combination": "ABO3", "CB_ind": 5.8053571671976645, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.82, "CB_dir": 5.8053571671976645, "gllbsc_dir_gap": 0.0, "standard_energy": -5.980947793008797, "B_ion": "B", "VB_dir": 5.8053571671976645, "VB_ind": 5.8053571671976645}


unique_id: f8b85405ee2a1ef557703f328c871e53
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Sr", "anion": "O3", "combination": "ABO3", "CB_ind": 5.36805658926364, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.12, "CB_dir": 5.36805658926364, "gllbsc_dir_gap": 0.0, "standard_energy": -4.487967137443361, "B_ion": "Hg", "VB_dir": 5.36805658926364, "VB_ind": 5.36805658926364}


unique_id: d3b99d681545743e47bd7c6dbd742f66
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Nb", "anion": "O3", "combination": "ABO3", "CB_ind": 5.959084163907744, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.02, "CB_dir": 5.959084163907744, "gllbsc_dir_gap": 0.0, "standard_energy": -3.6038034281106555, "B_ion": "W", "VB_dir": 5.959084163907744, "VB_ind": 5.959084163907744}


unique_id: a77748e067b2b1577b0e5d0e19a6f01f
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Sb", "anion": "O3", "combination": "ABO3", "CB_ind": 6.045583930693872, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.66, "CB_dir": 6.045583930693872, "gllbsc_dir_gap": 0.0, "standard_energy": -4.042072622203678, "B_ion": "Mo", "VB_dir": 6.045583930693872, "VB_ind": 6.045583930693872}


unique_id: cfb9ac36830eab53b863c90e2264121f
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Rh", "anion": "O3", "combination": "ABO3", "CB_ind": 6.018168843129987, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.22, "CB_dir": 6.018168843129987, "gllbsc_dir_gap": 0.0, "standard_energy": -1.2314256357363558, "B_ion": "Sn", "VB_dir": 6.018168843129987, "VB_ind": 6.018168843129987}


unique_id: d6e0067678307a05464a104217629506
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Hg", "anion": "O3", "combination": "ABO3", "CB_ind": 5.89344483792828, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.26, "CB_dir": 5.89344483792828, "gllbsc_dir_gap": 0.0, "standard_energy": -6.137847474548094, "B_ion": "Y", "VB_dir": 5.89344483792828, "VB_ind": 5.89344483792828}


unique_id: 94f5156670436e23461268429c76a397
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Bi", "anion": "O3", "combination": "ABO3", "CB_ind": 5.280663837754376, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.2, "CB_dir": 5.280663837754376, "gllbsc_dir_gap": 0.0, "standard_energy": 3.5845484834297228, "B_ion": "Rb", "VB_dir": 5.280663837754376, "VB_ind": 5.280663837754376}


unique_id: acb1ad117f25b32ecd9fa68ee2bedeb3
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ca", "anion": "O3", "combination": "ABO3", "CB_ind": 5.190275327698639, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.32, "CB_dir": 5.190275327698639, "gllbsc_dir_gap": 0.0, "standard_energy": -8.911265742040102, "B_ion": "Re", "VB_dir": 5.190275327698639, "VB_ind": 5.190275327698639}


unique_id: e8aa6fd7211ea97f1a073c9bfca90261
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "In", "anion": "O3", "combination": "ABO3", "CB_ind": 5.2798509580806465, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.88, "CB_dir": 5.2798509580806465, "gllbsc_dir_gap": 0.0, "standard_energy": -2.9508374101226886, "B_ion": "In", "VB_dir": 5.2798509580806465, "VB_ind": 5.2798509580806465}


unique_id: d09eb940f29a61979f5c42351d8efb2f
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Rh", "anion": "O3", "combination": "ABO3", "CB_ind": 5.542933251847702, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.5, "CB_dir": 5.542933251847702, "gllbsc_dir_gap": 0.0, "standard_energy": 4.699013217139626, "B_ion": "Na", "VB_dir": 5.542933251847702, "VB_ind": 5.542933251847702}


unique_id: d7c238453b58fcaa343cc33dfd91a8d6
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Li", "anion": "O3", "combination": "ABO3", "CB_ind": 5.452510849079349, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.32, "CB_dir": 5.452510849079349, "gllbsc_dir_gap": 0.0, "standard_energy": -4.052079589625719, "B_ion": "Mg", "VB_dir": 5.452510849079349, "VB_ind": 5.452510849079349}


unique_id: 88437d9c2d323682de7a8dd03bbd9728
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ca", "anion": "O3", "combination": "ABO3", "CB_ind": 5.2159075641043655, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.68, "CB_dir": 5.2159075641043655, "gllbsc_dir_gap": 0.0, "standard_energy": -7.058569108241182, "B_ion": "Bi", "VB_dir": 5.2159075641043655, "VB_ind": 5.2159075641043655}


unique_id: b523751cc8a36e4941b026d88f63a6ee
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Os", "anion": "O3", "combination": "ABO3", "CB_ind": 5.467413603737359, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 3.58, "CB_dir": 5.467413603737359, "gllbsc_dir_gap": 0.0, "standard_energy": 10.541726358640304, "B_ion": "Rb", "VB_dir": 5.467413603737359, "VB_ind": 5.467413603737359}


unique_id: bca4e27ba3e366c5548b64431acaf9b9
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ti", "anion": "O3", "combination": "ABO3", "CB_ind": 5.899146103903608, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.44, "CB_dir": 5.899146103903608, "gllbsc_dir_gap": 0.0, "standard_energy": -4.024555157851871, "B_ion": "Sb", "VB_dir": 5.899146103903608, "VB_ind": 5.899146103903608}


unique_id: 8d19ee32f99233e2f46fa30e0774207c
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Re", "anion": "O3", "combination": "ABO3", "CB_ind": 5.849488055738191, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.26, "CB_dir": 5.849488055738191, "gllbsc_dir_gap": 0.0, "standard_energy": -2.3998966676309426, "B_ion": "Nb", "VB_dir": 5.849488055738191, "VB_ind": 5.849488055738191}


unique_id: 3824f1807a00a1d7f10f923e5e14ce3f
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ni", "anion": "O3", "combination": "ABO3", "CB_ind": 5.785372674963633, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.46, "CB_dir": 5.785372674963633, "gllbsc_dir_gap": 0.0, "standard_energy": -8.908463427120154, "B_ion": "Ti", "VB_dir": 5.785372674963633, "VB_ind": 5.785372674963633}


unique_id: bf9dd8739eb3459bbdf05580acb5cc70
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Pd", "anion": "O3", "combination": "ABO3", "CB_ind": 5.88650579493015, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.02, "CB_dir": 5.88650579493015, "gllbsc_dir_gap": 0.0, "standard_energy": -2.30026852283705, "B_ion": "Mn", "VB_dir": 5.88650579493015, "VB_ind": 5.88650579493015}


unique_id: f074b806e59f10828e73e6cf1ff98af0
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Pd", "anion": "O3", "combination": "ABO3", "CB_ind": 5.512847091456079, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.26, "CB_dir": 5.512847091456079, "gllbsc_dir_gap": 0.0, "standard_energy": 1.7062605782935714, "B_ion": "Ba", "VB_dir": 5.512847091456079, "VB_ind": 5.512847091456079}


unique_id: d073f345da7d1bb81e74a652c45364f3
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Cr", "anion": "O3", "combination": "ABO3", "CB_ind": 5.88650579493015, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.28, "CB_dir": 5.88650579493015, "gllbsc_dir_gap": 0.0, "standard_energy": -1.2270671233198147, "B_ion": "Zn", "VB_dir": 5.88650579493015, "VB_ind": 5.88650579493015}


unique_id: 6c0f4e2cc9bf6b03f7e9fb8e220e5ae6
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Y", "anion": "O3", "combination": "ABO3", "CB_ind": 5.4813993057677255, "gllbsc_ind_gap": 0.9, "heat_of_formation_all": 0.74, "CB_dir": 5.331399305767725, "gllbsc_dir_gap": 1.2, "standard_energy": -8.783612512766732, "B_ion": "As", "VB_dir": 6.491399305767725, "VB_ind": 6.341399305767725}


unique_id: 2edf1b272a2bd5b760cb194546aa0a26
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "As", "anion": "O3", "combination": "ABO3", "CB_ind": 6.5894114851666625, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.4, "CB_dir": 6.5894114851666625, "gllbsc_dir_gap": 0.0, "standard_energy": -0.3416705359907919, "B_ion": "Tl", "VB_dir": 6.5894114851666625, "VB_ind": 6.5894114851666625}


unique_id: 77e026837f839692ba9e43158d83f3ac
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Hg", "anion": "O3", "combination": "ABO3", "CB_ind": 6.533100479631044, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.36, "CB_dir": 6.533100479631044, "gllbsc_dir_gap": 0.0, "standard_energy": -0.5772139989987473, "B_ion": "Ir", "VB_dir": 6.533100479631044, "VB_ind": 6.533100479631044}


unique_id: b5999b649453708ee89618b87f2e470f
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "In", "anion": "O3", "combination": "ABO3", "CB_ind": 5.381461037662207, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.34, "CB_dir": 5.381461037662207, "gllbsc_dir_gap": 0.0, "standard_energy": -10.79950336597171, "B_ion": "Hf", "VB_dir": 5.381461037662207, "VB_ind": 5.381461037662207}


unique_id: e99d0a4c66d05c81fb5e4432b2e2fe41
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ru", "anion": "O3", "combination": "ABO3", "CB_ind": 6.395735980222526, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.9, "CB_dir": 6.395735980222526, "gllbsc_dir_gap": 0.0, "standard_energy": 2.161893472420064, "B_ion": "Pt", "VB_dir": 6.395735980222526, "VB_ind": 6.395735980222526}


unique_id: ffdd51ec14a529848322787597e68b38
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ca", "anion": "O3", "combination": "ABO3", "CB_ind": 4.516141294232367, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.4, "CB_dir": 4.516141294232367, "gllbsc_dir_gap": 0.0, "standard_energy": -6.160732857963557, "B_ion": "Sr", "VB_dir": 4.516141294232367, "VB_ind": 4.516141294232367}


unique_id: 7ad5a8110fc1cc841b9ba499f459060b
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ge", "anion": "O3", "combination": "ABO3", "CB_ind": 6.360389705329495, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.74, "CB_dir": 6.360389705329495, "gllbsc_dir_gap": 0.0, "standard_energy": -3.668980538285526, "B_ion": "As", "VB_dir": 6.360389705329495, "VB_ind": 6.360389705329495}


unique_id: 3c5644ba74ec554f670c57931bb253fd
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Tl", "anion": "O3", "combination": "ABO3", "CB_ind": 6.449303947318698, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.8, "CB_dir": 6.449303947318698, "gllbsc_dir_gap": 0.0, "standard_energy": -6.331917386460878, "B_ion": "Si", "VB_dir": 6.449303947318698, "VB_ind": 6.449303947318698}


unique_id: c987549b612e67669fbdda27249bf527
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Bi", "anion": "O3", "combination": "ABO3", "CB_ind": 3.5053086529300232, "gllbsc_ind_gap": 4.2, "heat_of_formation_all": 0.26, "CB_dir": 3.2903086529300234, "gllbsc_dir_gap": 4.7, "standard_energy": -9.336613386217616, "B_ion": "Al", "VB_dir": 7.960308652930023, "VB_ind": 7.7453086529300235}


unique_id: f8f2d906f8a7d218dea6d8b0b1bb3be8
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Al", "anion": "O3", "combination": "ABO3", "CB_ind": 5.625308652930023, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.48, "CB_dir": 5.625308652930023, "gllbsc_dir_gap": 0.0, "standard_energy": -3.3187206567245897, "B_ion": "Bi", "VB_dir": 5.625308652930023, "VB_ind": 5.625308652930023}


unique_id: 67984bcb3ed605301a1e0578a038a79e
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ag", "anion": "O3", "combination": "ABO3", "CB_ind": 6.054036544260171, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.76, "CB_dir": 6.054036544260171, "gllbsc_dir_gap": 0.0, "standard_energy": -0.658948498771291, "B_ion": "B", "VB_dir": 6.054036544260171, "VB_ind": 6.054036544260171}


unique_id: 93540e45c82665b7efb9584231e35c40
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Sb", "anion": "O3", "combination": "ABO3", "CB_ind": 5.029277777275717, "gllbsc_ind_gap": 1.5, "heat_of_formation_all": 0.54, "CB_dir": 4.624277777275717, "gllbsc_dir_gap": 2.3, "standard_energy": -4.640327229232927, "B_ion": "In", "VB_dir": 6.924277777275718, "VB_ind": 6.519277777275717}


unique_id: f5127e2ecf9cd547978d578e44f3bc4b
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Pd", "anion": "O3", "combination": "ABO3", "CB_ind": 5.708304404725715, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.54, "CB_dir": 5.708304404725715, "gllbsc_dir_gap": 0.0, "standard_energy": -4.789398192580207, "B_ion": "Y", "VB_dir": 5.708304404725715, "VB_ind": 5.708304404725715}


unique_id: d2f0ae09ec3f095c810050eea4b9d5ec
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ba", "anion": "O3", "combination": "ABO3", "CB_ind": 5.520260180225299, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.82, "CB_dir": 5.520260180225299, "gllbsc_dir_gap": 0.0, "standard_energy": -5.515903619651306, "B_ion": "Cu", "VB_dir": 5.520260180225299, "VB_ind": 5.520260180225299}


unique_id: a8d818fcf188bc316efd1121cd64451a
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ga", "anion": "O3", "combination": "ABO3", "CB_ind": 5.347329882875268, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.96, "CB_dir": 5.347329882875268, "gllbsc_dir_gap": 0.0, "standard_energy": -3.2765309136626666, "B_ion": "Ga", "VB_dir": 5.347329882875268, "VB_ind": 5.347329882875268}


unique_id: cc435f6e36702d6c796f0a9346a301bf
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Sc", "anion": "O3", "combination": "ABO3", "CB_ind": 5.748000726851131, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.92, "CB_dir": 5.748000726851131, "gllbsc_dir_gap": 0.0, "standard_energy": -7.569975072326253, "B_ion": "W", "VB_dir": 5.748000726851131, "VB_ind": 5.748000726851131}


unique_id: 53d1211222faaed797dcd970aa3ca27c
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Tl", "anion": "O3", "combination": "ABO3", "CB_ind": 6.1390340556016065, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.42, "CB_dir": 6.1390340556016065, "gllbsc_dir_gap": 0.0, "standard_energy": -5.308830642733801, "B_ion": "Cr", "VB_dir": 6.1390340556016065, "VB_ind": 6.1390340556016065}


unique_id: ac976f1138587ded1874965bb8604683
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Nb", "anion": "O3", "combination": "ABO3", "CB_ind": 5.555988303060978, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.82, "CB_dir": 5.555988303060978, "gllbsc_dir_gap": 0.0, "standard_energy": -4.6286967778404176, "B_ion": "In", "VB_dir": 5.555988303060978, "VB_ind": 5.555988303060978}


unique_id: 4ec91d2ef0d987189bec92886476ef42
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Sn", "anion": "O3", "combination": "ABO3", "CB_ind": 6.059582170020341, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.1, "CB_dir": 6.059582170020341, "gllbsc_dir_gap": 0.0, "standard_energy": -1.8648323508821036, "B_ion": "Pd", "VB_dir": 6.059582170020341, "VB_ind": 6.059582170020341}


unique_id: 9998e6736f0424f70cf3708141a4747e
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ni", "anion": "O3", "combination": "ABO3", "CB_ind": 6.095693526262528, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.46, "CB_dir": 6.095693526262528, "gllbsc_dir_gap": 0.0, "standard_energy": -0.03317678833676929, "B_ion": "Cu", "VB_dir": 6.095693526262528, "VB_ind": 6.095693526262528}


unique_id: 109c96afd6f72f76c567bb3e6dd7ceb4
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "B", "anion": "O3", "combination": "ABO3", "CB_ind": 5.94666742732888, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.24, "CB_dir": 5.94666742732888, "gllbsc_dir_gap": 0.0, "standard_energy": 1.7173663968060566, "B_ion": "Fe", "VB_dir": 5.94666742732888, "VB_ind": 5.94666742732888}


unique_id: b70178031f52b6c6a86a5f2e1fb5ce42
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ta", "anion": "O3", "combination": "ABO3", "CB_ind": 5.554374336784819, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.0, "CB_dir": 5.554374336784819, "gllbsc_dir_gap": 0.0, "standard_energy": -7.256038743125584, "B_ion": "La", "VB_dir": 5.554374336784819, "VB_ind": 5.554374336784819}


unique_id: ea358053fc852e7ea63c7a9e6cfc0d89
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Zn", "anion": "O3", "combination": "ABO3", "CB_ind": 5.281869072400477, "gllbsc_ind_gap": 1.7, "heat_of_formation_all": 0.48, "CB_dir": 4.991869072400478, "gllbsc_dir_gap": 2.3, "standard_energy": -5.202848763554092, "B_ion": "Ge", "VB_dir": 7.291869072400477, "VB_ind": 7.001869072400478}


unique_id: dbcef27061099822569740c11818d051
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Cs", "anion": "O3", "combination": "ABO3", "CB_ind": 5.154134279677396, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.9, "CB_dir": 5.154134279677396, "gllbsc_dir_gap": 0.0, "standard_energy": -2.89849648841877, "B_ion": "Pb", "VB_dir": 5.154134279677396, "VB_ind": 5.154134279677396}


unique_id: cdcf7d5eeaa18ee23d91bda718f3f024
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Te", "anion": "O3", "combination": "ABO3", "CB_ind": 6.348658840495298, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.86, "CB_dir": 6.348658840495298, "gllbsc_dir_gap": 0.0, "standard_energy": -3.115387522830229, "B_ion": "W", "VB_dir": 6.348658840495298, "VB_ind": 6.348658840495298}


unique_id: 9c6cf5fa0b12d6126567850279bd03a0
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Be", "anion": "O3", "combination": "ABO3", "CB_ind": 5.822992052871399, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.04, "CB_dir": 5.822992052871399, "gllbsc_dir_gap": 0.0, "standard_energy": -5.1887857045245624, "B_ion": "Ga", "VB_dir": 5.822992052871399, "VB_ind": 5.822992052871399}


unique_id: 5dfd2249e3ee96886853693e19dab6d4
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Zn", "anion": "O3", "combination": "ABO3", "CB_ind": 6.363022468914748, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.9, "CB_dir": 6.363022468914748, "gllbsc_dir_gap": 0.0, "standard_energy": -3.1369959646409367, "B_ion": "Te", "VB_dir": 6.363022468914748, "VB_ind": 6.363022468914748}


unique_id: 507bda981f93a2d2a00d23291351ff73
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Sn", "anion": "O3", "combination": "ABO3", "CB_ind": 6.256115779379952, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.5, "CB_dir": 6.256115779379952, "gllbsc_dir_gap": 0.0, "standard_energy": 0.1692643693776737, "B_ion": "Hg", "VB_dir": 6.256115779379952, "VB_ind": 6.256115779379952}


unique_id: b3ec6b3977bfa04de3c76a47df7240bb
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "K", "anion": "O3", "combination": "ABO3", "CB_ind": 5.413555102712078, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.62, "CB_dir": 5.413555102712078, "gllbsc_dir_gap": 0.0, "standard_energy": -4.36843010487461, "B_ion": "Ru", "VB_dir": 5.413555102712078, "VB_ind": 5.413555102712078}


unique_id: d9bebdb738bdd09963c719f675d14440
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Pt", "anion": "O3", "combination": "ABO3", "CB_ind": 5.438185579139812, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.46, "CB_dir": 5.438185579139812, "gllbsc_dir_gap": 0.0, "standard_energy": 2.2877033656410495, "B_ion": "Sr", "VB_dir": 5.438185579139812, "VB_ind": 5.438185579139812}


unique_id: 35a6cfe07a45e59082bd3b31950bf544
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Nb", "anion": "O3", "combination": "ABO3", "CB_ind": 5.959084163907744, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.14, "CB_dir": 5.959084163907744, "gllbsc_dir_gap": 0.0, "standard_energy": -2.9966482329962094, "B_ion": "Ni", "VB_dir": 5.959084163907744, "VB_ind": 5.959084163907744}


unique_id: 5a638c612903a696bf00c84c57cecdcf
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Co", "anion": "O3", "combination": "ABO3", "CB_ind": 6.141749050727387, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.84, "CB_dir": 6.141749050727387, "gllbsc_dir_gap": 0.0, "standard_energy": -6.1058066295118945, "B_ion": "Si", "VB_dir": 6.141749050727387, "VB_ind": 6.141749050727387}


unique_id: 1afc1357b9bf33315c4f7dfcc8d788b7
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "B", "anion": "O3", "combination": "ABO3", "CB_ind": 5.899040333259969, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.6, "CB_dir": 5.899040333259969, "gllbsc_dir_gap": 0.0, "standard_energy": -1.5294710750174279, "B_ion": "Mo", "VB_dir": 5.899040333259969, "VB_ind": 5.899040333259969}


unique_id: 42d4c6ec812bcc40a3c4ced98fc0f93e
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Sr", "anion": "O3", "combination": "ABO3", "CB_ind": 5.211052968141788, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.5, "CB_dir": 5.211052968141788, "gllbsc_dir_gap": 0.0, "standard_energy": -7.564145470319318, "B_ion": "Ru", "VB_dir": 5.211052968141788, "VB_ind": 5.211052968141788}


unique_id: 5402c08cf4adca2f134df209e1234d37
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Mn", "anion": "O3", "combination": "ABO3", "CB_ind": 5.112933095396412, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.6, "CB_dir": 5.112933095396412, "gllbsc_dir_gap": 0.0, "standard_energy": -2.4243065119776634, "B_ion": "Ca", "VB_dir": 5.112933095396412, "VB_ind": 5.112933095396412}


unique_id: e5c52cde334a116d3ca43cd3404bd670
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Li", "anion": "O3", "combination": "ABO3", "CB_ind": 5.526105340941077, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.2, "CB_dir": 5.526105340941077, "gllbsc_dir_gap": 0.0, "standard_energy": -7.724366709593585, "B_ion": "Re", "VB_dir": 5.526105340941077, "VB_ind": 5.526105340941077}


unique_id: d2b7cd2bac6e26c0c136ffae5ba869af
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Au", "anion": "O3", "combination": "ABO3", "CB_ind": 6.513786787148358, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.26, "CB_dir": 6.513786787148358, "gllbsc_dir_gap": 0.0, "standard_energy": -3.972862724977235, "B_ion": "Si", "VB_dir": 6.513786787148358, "VB_ind": 6.513786787148358}


unique_id: 5e0e325717e2095bdd97f744732c4a48
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Pd", "anion": "O3", "combination": "ABO3", "CB_ind": 6.101280477888935, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.76, "CB_dir": 6.101280477888935, "gllbsc_dir_gap": 0.0, "standard_energy": 1.1739070071046536, "B_ion": "Zn", "VB_dir": 6.101280477888935, "VB_ind": 6.101280477888935}


unique_id: c0efb72266bf7f87a214cdceb79cb66e
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "V", "anion": "O3", "combination": "ABO3", "CB_ind": 6.159885626728299, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.94, "CB_dir": 6.159885626728299, "gllbsc_dir_gap": 0.0, "standard_energy": 1.5778026190070573, "B_ion": "Au", "VB_dir": 6.159885626728299, "VB_ind": 6.159885626728299}


unique_id: b0e5777a72c3362842b43c28af5542e5
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Zn", "anion": "O3", "combination": "ABO3", "CB_ind": 5.990377543136873, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.82, "CB_dir": 5.990377543136873, "gllbsc_dir_gap": 0.0, "standard_energy": -3.454196168488304, "B_ion": "Fe", "VB_dir": 5.990377543136873, "VB_ind": 5.990377543136873}


unique_id: 2925927ff4eff70a167e176d07a1823b
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Hf", "anion": "O3", "combination": "ABO3", "CB_ind": 6.033125095502632, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.44, "CB_dir": 6.033125095502632, "gllbsc_dir_gap": 0.0, "standard_energy": -5.34934793088196, "B_ion": "Tl", "VB_dir": 6.033125095502632, "VB_ind": 6.033125095502632}


unique_id: 3c21a5086f1fa3b4e78688cc1b62e313
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "V", "anion": "O3", "combination": "ABO3", "CB_ind": 5.471364175323169, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.58, "CB_dir": 5.471364175323169, "gllbsc_dir_gap": 0.0, "standard_energy": -5.1674932164458145, "B_ion": "Y", "VB_dir": 5.471364175323169, "VB_ind": 5.471364175323169}


unique_id: 1fe9bddecbdb216aca1f41865e598fca
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Hg", "anion": "O3", "combination": "ABO3", "CB_ind": 6.199825280984637, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.16, "CB_dir": 6.199825280984637, "gllbsc_dir_gap": 0.0, "standard_energy": -1.5824099628484052, "B_ion": "Bi", "VB_dir": 6.199825280984637, "VB_ind": 6.199825280984637}


unique_id: 69b0312d90e79998727b629db45d58d6
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Co", "anion": "O3", "combination": "ABO3", "CB_ind": 5.4751703453885785, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.32, "CB_dir": 5.4751703453885785, "gllbsc_dir_gap": 0.0, "standard_energy": 1.9653837546314659, "B_ion": "Ba", "VB_dir": 5.4751703453885785, "VB_ind": 5.4751703453885785}


unique_id: 28590197c04653470b535f77f876ca44
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Be", "anion": "O3", "combination": "ABO3", "CB_ind": 6.088750804906989, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.2, "CB_dir": 6.088750804906989, "gllbsc_dir_gap": 0.0, "standard_energy": -5.488892348929172, "B_ion": "Nb", "VB_dir": 6.088750804906989, "VB_ind": 6.088750804906989}


unique_id: 19ef5690d00dc18d1f204c2dce77eb25
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Zr", "anion": "O3", "combination": "ABO3", "CB_ind": 6.112399497390413, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.34, "CB_dir": 6.112399497390413, "gllbsc_dir_gap": 0.0, "standard_energy": -5.361565884622141, "B_ion": "Tl", "VB_dir": 6.112399497390413, "VB_ind": 6.112399497390413}


unique_id: 6c873d149625db8c5a689ae9c710bd18
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Cr", "anion": "O3", "combination": "ABO3", "CB_ind": 6.001016069259472, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.04, "CB_dir": 6.001016069259472, "gllbsc_dir_gap": 0.0, "standard_energy": -4.878166118282273, "B_ion": "Be", "VB_dir": 6.001016069259472, "VB_ind": 6.001016069259472}


unique_id: bdafe2ce773f6a87cfd57f0dc5c700a7
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Cd", "anion": "O3", "combination": "ABO3", "CB_ind": 5.967188116116137, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.16, "CB_dir": 5.967188116116137, "gllbsc_dir_gap": 0.0, "standard_energy": -7.948729944977977, "B_ion": "Nb", "VB_dir": 5.967188116116137, "VB_ind": 5.967188116116137}


unique_id: a8fc60dfb371b7e4d384ca995c805eef
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Cu", "anion": "O3", "combination": "ABO3", "CB_ind": 5.3724917839057165, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.92, "CB_dir": 5.3724917839057165, "gllbsc_dir_gap": 0.0, "standard_energy": 7.204387892405528, "B_ion": "Rb", "VB_dir": 5.3724917839057165, "VB_ind": 5.3724917839057165}


unique_id: c575abad91cc41a49562ad2533b7068c
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Cs", "anion": "O3", "combination": "ABO3", "CB_ind": 5.198415816898357, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.92, "CB_dir": 5.198415816898357, "gllbsc_dir_gap": 0.0, "standard_energy": -2.8272394320293674, "B_ion": "Fe", "VB_dir": 5.198415816898357, "VB_ind": 5.198415816898357}


unique_id: f2de147a4733c39bdb2a79655430971b
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ni", "anion": "O3", "combination": "ABO3", "CB_ind": 5.662912611741364, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.14, "CB_dir": 5.662912611741364, "gllbsc_dir_gap": 0.0, "standard_energy": -1.6539564361961712, "B_ion": "In", "VB_dir": 5.662912611741364, "VB_ind": 5.662912611741364}


unique_id: 263d5ee3286f38743b83572da3f5ce6a
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Mo", "anion": "O3", "combination": "ABO3", "CB_ind": 5.950391079231936, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.56, "CB_dir": 5.950391079231936, "gllbsc_dir_gap": 0.0, "standard_energy": 0.4188777618499291, "B_ion": "Cu", "VB_dir": 5.950391079231936, "VB_ind": 5.950391079231936}


unique_id: d2acfde9fc57cc6597f03ec04a9b88bf
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Pt", "anion": "O3", "combination": "ABO3", "CB_ind": 5.977905305891644, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.38, "CB_dir": 5.977905305891644, "gllbsc_dir_gap": 0.0, "standard_energy": -3.774811887021259, "B_ion": "Al", "VB_dir": 5.977905305891644, "VB_ind": 5.977905305891644}


unique_id: 83d602b8a8e161de3a3382f5016db5a4
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "W", "anion": "O3", "combination": "ABO3", "CB_ind": 5.771894665536239, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.0, "CB_dir": 5.771894665536239, "gllbsc_dir_gap": 0.0, "standard_energy": -7.539173422614853, "B_ion": "Hf", "VB_dir": 5.771894665536239, "VB_ind": 5.771894665536239}


unique_id: ea8ef0f7e68affa16d4c635e2134a69a
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Os", "anion": "O3", "combination": "ABO3", "CB_ind": 6.301735170934339, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.72, "CB_dir": 6.301735170934339, "gllbsc_dir_gap": 0.0, "standard_energy": -1.6879989602684464, "B_ion": "Si", "VB_dir": 6.301735170934339, "VB_ind": 6.301735170934339}


unique_id: c96f3ada94f293e7df0ca4b1ee3e9f20
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "In", "anion": "O3", "combination": "ABO3", "CB_ind": 5.525088574789239, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.08, "CB_dir": 5.525088574789239, "gllbsc_dir_gap": 0.0, "standard_energy": -1.9569700325744779, "B_ion": "Pb", "VB_dir": 5.525088574789239, "VB_ind": 5.525088574789239}


unique_id: b922ac779437493a26335b99de16877d
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ag", "anion": "O3", "combination": "ABO3", "CB_ind": 5.197082115647627, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.06, "CB_dir": 5.197082115647627, "gllbsc_dir_gap": 0.0, "standard_energy": 0.21699655585316124, "B_ion": "Sr", "VB_dir": 5.197082115647627, "VB_ind": 5.197082115647627}


unique_id: 5f96fc2170165672cc56cb2355a883b2
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ag", "anion": "O3", "combination": "ABO3", "CB_ind": 6.3601601094704305, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.82, "CB_dir": 6.3601601094704305, "gllbsc_dir_gap": 0.0, "standard_energy": 1.6877641023146812, "B_ion": "Tl", "VB_dir": 6.3601601094704305, "VB_ind": 6.3601601094704305}


unique_id: 642ae65724677eee7b705dafb7722da5
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ga", "anion": "O3", "combination": "ABO3", "CB_ind": 4.569061076952656, "gllbsc_ind_gap": 2.1, "heat_of_formation_all": -0.04, "CB_dir": 4.539061076952656, "gllbsc_dir_gap": 2.2, "standard_energy": -9.645095099497722, "B_ion": "Ta", "VB_dir": 6.699061076952656, "VB_ind": 6.669061076952656}


unique_id: eada4cc319488ac6f640f1e2c8bd0a56
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ru", "anion": "O3", "combination": "ABO3", "CB_ind": 6.073138417799092, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.66, "CB_dir": 6.073138417799092, "gllbsc_dir_gap": 0.0, "standard_energy": 0.9225579457290074, "B_ion": "Rh", "VB_dir": 6.073138417799092, "VB_ind": 6.073138417799092}


unique_id: c5af355c0f49036039ecba039c8a0c42
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Mg", "anion": "O3", "combination": "ABO3", "CB_ind": 5.5231170313613935, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.54, "CB_dir": 5.5231170313613935, "gllbsc_dir_gap": 0.0, "standard_energy": -9.814882370182497, "B_ion": "Al", "VB_dir": 5.5231170313613935, "VB_ind": 5.5231170313613935}


unique_id: c9adae7bcb9eef06ecaf778b2790a91a
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Mo", "anion": "O3", "combination": "ABO3", "CB_ind": 5.56661151456634, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.8, "CB_dir": 5.56661151456634, "gllbsc_dir_gap": 0.0, "standard_energy": -6.638223777562702, "B_ion": "Al", "VB_dir": 5.56661151456634, "VB_ind": 5.56661151456634}


unique_id: b0fd45323112e55ffe4f4bd34936560e
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ga", "anion": "O3", "combination": "ABO3", "CB_ind": 5.974176104419327, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.3, "CB_dir": 5.974176104419327, "gllbsc_dir_gap": 0.0, "standard_energy": -1.2522997194731067, "B_ion": "Pt", "VB_dir": 5.974176104419327, "VB_ind": 5.974176104419327}


unique_id: 8ecf677a6e503c867f157fb7dc45449c
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Au", "anion": "O3", "combination": "ABO3", "CB_ind": 6.382720682566039, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.18, "CB_dir": 6.382720682566039, "gllbsc_dir_gap": 0.0, "standard_energy": -1.4422922561107345, "B_ion": "Sn", "VB_dir": 6.382720682566039, "VB_ind": 6.382720682566039}


unique_id: 6414a52c32cf46cdd4e96e836c0ec86b
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Te", "anion": "O3", "combination": "ABO3", "CB_ind": 6.4053522945627535, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.02, "CB_dir": 6.4053522945627535, "gllbsc_dir_gap": 0.0, "standard_energy": -2.291587669714426, "B_ion": "Ge", "VB_dir": 6.4053522945627535, "VB_ind": 6.4053522945627535}


unique_id: 1fcf2f67f03ec1bfb49b750055c8ce5e
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Rh", "anion": "O3", "combination": "ABO3", "CB_ind": 5.263264710969107, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.18, "CB_dir": 5.263264710969107, "gllbsc_dir_gap": 0.0, "standard_energy": 0.42395161671523596, "B_ion": "Ca", "VB_dir": 5.263264710969107, "VB_ind": 5.263264710969107}


unique_id: aa7945d7556e4df5163bea78be4bfe4c
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Nb", "anion": "O3", "combination": "ABO3", "CB_ind": 6.086263569270805, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.66, "CB_dir": 6.086263569270805, "gllbsc_dir_gap": 0.0, "standard_energy": -0.4833522318429342, "B_ion": "Os", "VB_dir": 6.086263569270805, "VB_ind": 6.086263569270805}


unique_id: c500962ba131ae5145bc938e54f2129c
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ti", "anion": "O3", "combination": "ABO3", "CB_ind": 5.644568203483221, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.38, "CB_dir": 5.644568203483221, "gllbsc_dir_gap": 0.0, "standard_energy": -4.358283278564218, "B_ion": "Pb", "VB_dir": 5.644568203483221, "VB_ind": 5.644568203483221}


unique_id: 61d135a226df119acac9617eae394775
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Sc", "anion": "O3", "combination": "ABO3", "CB_ind": 3.0733210661227255, "gllbsc_ind_gap": 4.6, "heat_of_formation_all": 0.42, "CB_dir": 2.858321066122725, "gllbsc_dir_gap": 5.1, "standard_energy": -10.41499142747574, "B_ion": "Ga", "VB_dir": 7.9283210661227255, "VB_ind": 7.713321066122726}


unique_id: da77ff77a9b18af42e364e5fa0a82dec
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Hg", "anion": "O3", "combination": "ABO3", "CB_ind": 6.131983909545765, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.2, "CB_dir": 6.131983909545765, "gllbsc_dir_gap": 0.0, "standard_energy": -1.3945158300649627, "B_ion": "Pb", "VB_dir": 6.131983909545765, "VB_ind": 6.131983909545765}


unique_id: 60f0f71358a5c6dcc031d24d2c49ac29
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ru", "anion": "O3", "combination": "ABO3", "CB_ind": 6.441020050745593, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.36, "CB_dir": 6.441020050745593, "gllbsc_dir_gap": 0.0, "standard_energy": 4.38743982521569, "B_ion": "Au", "VB_dir": 6.441020050745593, "VB_ind": 6.441020050745593}


unique_id: e57c9c1e5e73c6ff3f54f44af6fac154
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ti", "anion": "O3", "combination": "ABO3", "CB_ind": 5.011259442301958, "gllbsc_ind_gap": 1.8, "heat_of_formation_all": 0.82, "CB_dir": 4.706259442301958, "gllbsc_dir_gap": 2.4, "standard_energy": -9.843263789924897, "B_ion": "Be", "VB_dir": 7.116259442301958, "VB_ind": 6.811259442301958}


unique_id: ae10a72db37b344315d8b31944fa48a4
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "In", "anion": "O3", "combination": "ABO3", "CB_ind": 5.452172666923979, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.34, "CB_dir": 5.452172666923979, "gllbsc_dir_gap": 0.0, "standard_energy": -10.324579074846218, "B_ion": "Zr", "VB_dir": 5.452172666923979, "VB_ind": 5.452172666923979}


unique_id: 4ba9e29b6231534805a659d400ab5f53
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Cu", "anion": "O3", "combination": "ABO3", "CB_ind": 6.336374534910691, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.34, "CB_dir": 6.336374534910691, "gllbsc_dir_gap": 0.0, "standard_energy": -0.6464499945654136, "B_ion": "Ir", "VB_dir": 6.336374534910691, "VB_ind": 6.336374534910691}


unique_id: d65383959e539a68313a0bfd551f858d
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Na", "anion": "O3", "combination": "ABO3", "CB_ind": 5.384613623913114, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.06, "CB_dir": 5.384613623913114, "gllbsc_dir_gap": 0.0, "standard_energy": -7.548128594045522, "B_ion": "Cr", "VB_dir": 5.384613623913114, "VB_ind": 5.384613623913114}


unique_id: 2f8a6ab422643355071e85f073e2a344
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Cu", "anion": "O3", "combination": "ABO3", "CB_ind": 5.806259040344688, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.74, "CB_dir": 5.806259040344688, "gllbsc_dir_gap": 0.0, "standard_energy": -7.475602530875681, "B_ion": "Ti", "VB_dir": 5.806259040344688, "VB_ind": 5.806259040344688}


unique_id: 24ad2c4ec77c4bdd4a0d703be35e1855
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Zn", "anion": "O3", "combination": "ABO3", "CB_ind": 4.278461887261695, "gllbsc_ind_gap": 3.0, "heat_of_formation_all": 0.26, "CB_dir": 3.953461887261696, "gllbsc_dir_gap": 3.7, "standard_energy": -10.14974461457544, "B_ion": "Ti", "VB_dir": 7.6434618872616955, "VB_ind": 7.318461887261696}


unique_id: 7def5e9ae8186b8ce92d83860ebccf52
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Pt", "anion": "O3", "combination": "ABO3", "CB_ind": 6.655221183479855, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.7, "CB_dir": 6.655221183479855, "gllbsc_dir_gap": 0.0, "standard_energy": 1.1152458466099011, "B_ion": "Tl", "VB_dir": 6.655221183479855, "VB_ind": 6.655221183479855}


unique_id: 7f75c74d395e290694fb469c54a6b447
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Pt", "anion": "O3", "combination": "ABO3", "CB_ind": 6.3670543936717205, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.96, "CB_dir": 6.3670543936717205, "gllbsc_dir_gap": 0.0, "standard_energy": -2.5322025664742585, "B_ion": "W", "VB_dir": 6.3670543936717205, "VB_ind": 6.3670543936717205}


unique_id: 46447cd72ebf0eec195deb5351b30cfb
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Cd", "anion": "O3", "combination": "ABO3", "CB_ind": 5.641039224367348, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.82, "CB_dir": 5.641039224367348, "gllbsc_dir_gap": 0.0, "standard_energy": -7.406075998228776, "B_ion": "La", "VB_dir": 5.641039224367348, "VB_ind": 5.641039224367348}


unique_id: c22c1b7271bc421718c2d5b879a186ba
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Be", "anion": "O3", "combination": "ABO3", "CB_ind": 6.340965900830396, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.08, "CB_dir": 6.340965900830396, "gllbsc_dir_gap": 0.0, "standard_energy": -2.3811258288935147, "B_ion": "Be", "VB_dir": 6.340965900830396, "VB_ind": 6.340965900830396}


unique_id: 1e96007374e812e598c3a040fe152be9
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ir", "anion": "O3", "combination": "ABO3", "CB_ind": 6.553003667949445, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.5, "CB_dir": 6.553003667949445, "gllbsc_dir_gap": 0.0, "standard_energy": 0.14394187427391003, "B_ion": "As", "VB_dir": 6.553003667949445, "VB_ind": 6.553003667949445}


unique_id: b0c6edf007657431ea38612bcc2f4968
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Mn", "anion": "O3", "combination": "ABO3", "CB_ind": 6.077425927363968, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.7, "CB_dir": 6.077425927363968, "gllbsc_dir_gap": 0.0, "standard_energy": 1.1255696878069408, "B_ion": "Hg", "VB_dir": 6.077425927363968, "VB_ind": 6.077425927363968}


unique_id: aff88718555142ebd6c99fff26d214b6
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ni", "anion": "O3", "combination": "ABO3", "CB_ind": 6.170053241180032, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.92, "CB_dir": 6.170053241180032, "gllbsc_dir_gap": 0.0, "standard_energy": -5.668813745362963, "B_ion": "Si", "VB_dir": 6.170053241180032, "VB_ind": 6.170053241180032}


unique_id: f26655a70d3bbf820feaaf41e4821104
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Li", "anion": "O3", "combination": "ABO3", "CB_ind": 4.795353431276998, "gllbsc_ind_gap": 1.9, "heat_of_formation_all": 0.44, "CB_dir": 4.275353431276998, "gllbsc_dir_gap": 2.9, "standard_energy": -6.521970224202895, "B_ion": "Sb", "VB_dir": 7.205353431276998, "VB_ind": 6.685353431276998}


unique_id: 6d5e43e1f50e2c9e1568995ac27a026a
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Nb", "anion": "O3", "combination": "ABO3", "CB_ind": 6.088750804906989, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.78, "CB_dir": 6.088750804906989, "gllbsc_dir_gap": 0.0, "standard_energy": -7.59786560874627, "B_ion": "Be", "VB_dir": 6.088750804906989, "VB_ind": 6.088750804906989}


unique_id: 602769575ee77d5c68bdbb9b5dce3ba1
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "K", "anion": "O3", "combination": "ABO3", "CB_ind": 5.133385480965171, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.16, "CB_dir": 5.133385480965171, "gllbsc_dir_gap": 0.0, "standard_energy": -10.515519922679957, "B_ion": "Ti", "VB_dir": 5.133385480965171, "VB_ind": 5.133385480965171}


unique_id: 48f67936660d73ec237ea75466b32f1a
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Re", "anion": "O3", "combination": "ABO3", "CB_ind": 5.740188271351014, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.0, "CB_dir": 5.740188271351014, "gllbsc_dir_gap": 0.0, "standard_energy": -7.047544274408646, "B_ion": "Zr", "VB_dir": 5.740188271351014, "VB_ind": 5.740188271351014}


unique_id: b7e448a2af38e1940eac287ed21e281e
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ir", "anion": "O3", "combination": "ABO3", "CB_ind": 6.325018951984805, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.22, "CB_dir": 6.325018951984805, "gllbsc_dir_gap": 0.0, "standard_energy": 3.735993851701173, "B_ion": "Ag", "VB_dir": 6.325018951984805, "VB_ind": 6.325018951984805}


unique_id: 78ca438b48a45dade52fc64f9841e234
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "W", "anion": "O3", "combination": "ABO3", "CB_ind": 6.193210889520926, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.72, "CB_dir": 6.193210889520926, "gllbsc_dir_gap": 0.0, "standard_energy": 1.214632559003416, "B_ion": "Sb", "VB_dir": 6.193210889520926, "VB_ind": 6.193210889520926}


unique_id: f6b427eb2ead90083a8a6a5a35f8b1c8
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Cu", "anion": "O3", "combination": "ABO3", "CB_ind": 6.109484829114021, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.72, "CB_dir": 6.109484829114021, "gllbsc_dir_gap": 0.0, "standard_energy": 1.0182827811484305, "B_ion": "Zn", "VB_dir": 6.109484829114021, "VB_ind": 6.109484829114021}


unique_id: 4b57d2a83a48c11d6a0772732c50b652
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "V", "anion": "O3", "combination": "ABO3", "CB_ind": 5.834827500261499, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.8, "CB_dir": 5.834827500261499, "gllbsc_dir_gap": 0.0, "standard_energy": -4.044636332348004, "B_ion": "Ni", "VB_dir": 5.834827500261499, "VB_ind": 5.834827500261499}


unique_id: 26bdbba7b40d1f634d524f5b3513d9e2
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ag", "anion": "O3", "combination": "ABO3", "CB_ind": 6.1812309471649645, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.98, "CB_dir": 6.1812309471649645, "gllbsc_dir_gap": 0.0, "standard_energy": -5.442118094817342, "B_ion": "Si", "VB_dir": 6.1812309471649645, "VB_ind": 6.1812309471649645}


unique_id: 42edcfcca2cd4ab953e65884906ab02c
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Hg", "anion": "O3", "combination": "ABO3", "CB_ind": 5.94785509817004, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.12, "CB_dir": 5.94785509817004, "gllbsc_dir_gap": 0.0, "standard_energy": -6.655188893189139, "B_ion": "Sc", "VB_dir": 5.94785509817004, "VB_ind": 5.94785509817004}


unique_id: 438a62e171208a39ee0bab4684ab6e43
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "B", "anion": "O3", "combination": "ABO3", "CB_ind": 6.316593266914988, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.22, "CB_dir": 6.316593266914988, "gllbsc_dir_gap": 0.0, "standard_energy": 1.5920283048747326, "B_ion": "Te", "VB_dir": 6.316593266914988, "VB_ind": 6.316593266914988}


unique_id: 427b10abf9f26117856f59ba4ee60956
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ru", "anion": "O3", "combination": "ABO3", "CB_ind": 5.874078759094376, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.08, "CB_dir": 5.874078759094376, "gllbsc_dir_gap": 0.0, "standard_energy": -6.5976346193627675, "B_ion": "Zr", "VB_dir": 5.874078759094376, "VB_ind": 5.874078759094376}


unique_id: b8066f234d7a52ffc754de339d5b63e6
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Hf", "anion": "O3", "combination": "ABO3", "CB_ind": 6.033125095502632, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.52, "CB_dir": 6.033125095502632, "gllbsc_dir_gap": 0.0, "standard_energy": -4.87482413481, "B_ion": "Te", "VB_dir": 6.033125095502632, "VB_ind": 6.033125095502632}


unique_id: 6e0dcab0418f1bfbf3866c32432704e3
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ga", "anion": "O3", "combination": "ABO3", "CB_ind": 5.7893308832243155, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.64, "CB_dir": 5.7893308832243155, "gllbsc_dir_gap": 0.0, "standard_energy": -7.357870510349397, "B_ion": "Si", "VB_dir": 5.7893308832243155, "VB_ind": 5.7893308832243155}


unique_id: eecf40ee45310d40b282e53f28b845eb
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Pd", "anion": "O3", "combination": "ABO3", "CB_ind": 5.761005386365765, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.36, "CB_dir": 5.761005386365765, "gllbsc_dir_gap": 0.0, "standard_energy": -5.419924714647332, "B_ion": "Sc", "VB_dir": 5.761005386365765, "VB_ind": 5.761005386365765}


unique_id: 94a18d50ceafe6bfd1faf79988e891d5
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Sc", "anion": "O3", "combination": "ABO3", "CB_ind": 5.861039210106219, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.28, "CB_dir": 5.861039210106219, "gllbsc_dir_gap": 0.0, "standard_energy": -5.848673551945803, "B_ion": "Sb", "VB_dir": 5.861039210106219, "VB_ind": 5.861039210106219}


unique_id: 18eecccece9d93d624523807d23e3cc4
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Al", "anion": "O3", "combination": "ABO3", "CB_ind": 5.563753909612948, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.54, "CB_dir": 5.563753909612948, "gllbsc_dir_gap": 0.0, "standard_energy": -3.0081760734815486, "B_ion": "Pb", "VB_dir": 5.563753909612948, "VB_ind": 5.563753909612948}


unique_id: 9a6b3c142afde0f7d48b360b1873e4a9
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Cd", "anion": "O3", "combination": "ABO3", "CB_ind": 4.928240391273064, "gllbsc_ind_gap": 1.7, "heat_of_formation_all": 0.24, "CB_dir": 4.698240391273065, "gllbsc_dir_gap": 2.2, "standard_energy": -9.988864193380756, "B_ion": "Ti", "VB_dir": 6.888240391273064, "VB_ind": 6.658240391273065}


unique_id: 3d51a86f2c24196907b084a44568e4be
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Os", "anion": "O3", "combination": "ABO3", "CB_ind": 5.395448860228309, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 3.78, "CB_dir": 5.395448860228309, "gllbsc_dir_gap": 0.0, "standard_energy": 11.498309321054736, "B_ion": "Cs", "VB_dir": 5.395448860228309, "VB_ind": 5.395448860228309}


unique_id: ad75a64fb6889001e00dfc6952972fff
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Re", "anion": "O3", "combination": "ABO3", "CB_ind": 5.185548293143177, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 3.26, "CB_dir": 5.185548293143177, "gllbsc_dir_gap": 0.0, "standard_energy": 8.892584248039388, "B_ion": "Cs", "VB_dir": 5.185548293143177, "VB_ind": 5.185548293143177}


unique_id: cd5aedbe0fa567fda1684471e35dedfc
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Be", "anion": "O3", "combination": "ABO3", "CB_ind": 6.4868024283444345, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.96, "CB_dir": 6.4868024283444345, "gllbsc_dir_gap": 0.0, "standard_energy": -0.27274839500035775, "B_ion": "Te", "VB_dir": 6.4868024283444345, "VB_ind": 6.4868024283444345}


unique_id: 2aae860f1801ac690e43abfbb7435e84
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Hf", "anion": "O3", "combination": "ABO3", "CB_ind": 5.771894665536239, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.26, "CB_dir": 5.771894665536239, "gllbsc_dir_gap": 0.0, "standard_energy": -6.213729592984462, "B_ion": "Ni", "VB_dir": 5.771894665536239, "VB_ind": 5.771894665536239}


unique_id: 219539f91a6f05647304bc7884cc078b
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "In", "anion": "O3", "combination": "ABO3", "CB_ind": 5.572557150906536, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.56, "CB_dir": 5.572557150906536, "gllbsc_dir_gap": 0.0, "standard_energy": -4.533978552709833, "B_ion": "Fe", "VB_dir": 5.572557150906536, "VB_ind": 5.572557150906536}


unique_id: 90d43634ff4ecf521417d0359e6066f2
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Zr", "anion": "O3", "combination": "ABO3", "CB_ind": 5.737322474479536, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.64, "CB_dir": 5.737322474479536, "gllbsc_dir_gap": 0.0, "standard_energy": -9.545977036829576, "B_ion": "Nb", "VB_dir": 5.737322474479536, "VB_ind": 5.737322474479536}


unique_id: 78b536306f872c0ca6b35131d25d6c8e
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Os", "anion": "O3", "combination": "ABO3", "CB_ind": 5.908844711331564, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.14, "CB_dir": 5.908844711331564, "gllbsc_dir_gap": 0.0, "standard_energy": -5.492817199406885, "B_ion": "Ti", "VB_dir": 5.908844711331564, "VB_ind": 5.908844711331564}


unique_id: 58b251e88eae0b5b4eaa5637c77813f1
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Mo", "anion": "O3", "combination": "ABO3", "CB_ind": 5.733218520010463, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.86, "CB_dir": 5.733218520010463, "gllbsc_dir_gap": 0.0, "standard_energy": -3.125655706437053, "B_ion": "Mn", "VB_dir": 5.733218520010463, "VB_ind": 5.733218520010463}


unique_id: d7789ed652dd2a90a8a69f3c556e80f1
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ga", "anion": "O3", "combination": "ABO3", "CB_ind": 5.510811669224607, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.32, "CB_dir": 5.510811669224607, "gllbsc_dir_gap": 0.0, "standard_energy": -6.120897017322729, "B_ion": "Cr", "VB_dir": 5.510811669224607, "VB_ind": 5.510811669224607}


unique_id: c1f953f574aad9beedd587ed6a05c98e
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ni", "anion": "O3", "combination": "ABO3", "CB_ind": 5.976855108233935, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.22, "CB_dir": 5.976855108233935, "gllbsc_dir_gap": 0.0, "standard_energy": -1.2883085016479683, "B_ion": "Fe", "VB_dir": 5.976855108233935, "VB_ind": 5.976855108233935}


unique_id: e70d378be4ec9a4fc75bbc9da9fd26cf
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "W", "anion": "O3", "combination": "ABO3", "CB_ind": 5.925942610799772, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.52, "CB_dir": 5.925942610799772, "gllbsc_dir_gap": 0.0, "standard_energy": 0.1916474067949281, "B_ion": "Pb", "VB_dir": 5.925942610799772, "VB_ind": 5.925942610799772}


unique_id: bb5d5ccdb0b3efe933c52b97ead75ca0
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Y", "anion": "O3", "combination": "ABO3", "CB_ind": 5.157771298792426, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.2, "CB_dir": 5.157771298792426, "gllbsc_dir_gap": 0.0, "standard_energy": -8.652569624952266, "B_ion": "Ba", "VB_dir": 5.157771298792426, "VB_ind": 5.157771298792426}


unique_id: bd03476516fec6a1963b2185c2111367
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "V", "anion": "O3", "combination": "ABO3", "CB_ind": 5.69574329103466, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.66, "CB_dir": 5.69574329103466, "gllbsc_dir_gap": 0.0, "standard_energy": -4.821875002691664, "B_ion": "Mo", "VB_dir": 5.69574329103466, "VB_ind": 5.69574329103466}


unique_id: bccfe9bd1cc7fcd3f200888f57950ce5
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Na", "anion": "O3", "combination": "ABO3", "CB_ind": 5.2248755840606, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.72, "CB_dir": 5.2248755840606, "gllbsc_dir_gap": 0.0, "standard_energy": -4.546397143710404, "B_ion": "Ga", "VB_dir": 5.2248755840606, "VB_ind": 5.2248755840606}


unique_id: 2f2fe881c16b073aca82f3d2b6dd8159
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Os", "anion": "O3", "combination": "ABO3", "CB_ind": 6.5029407428872394, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.18, "CB_dir": 6.5029407428872394, "gllbsc_dir_gap": 0.0, "standard_energy": 3.559456001172083, "B_ion": "Pt", "VB_dir": 6.5029407428872394, "VB_ind": 6.5029407428872394}


unique_id: f390d514b98686a259d4656c79b9368a
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Cr", "anion": "O3", "combination": "ABO3", "CB_ind": 5.443758780109372, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.12, "CB_dir": 5.443758780109372, "gllbsc_dir_gap": 0.0, "standard_energy": -3.147392106209785, "B_ion": "Li", "VB_dir": 5.443758780109372, "VB_ind": 5.443758780109372}


unique_id: 9c6ef0ff5b659ad62f0511bebf27efc4
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "V", "anion": "O3", "combination": "ABO3", "CB_ind": 4.983603532620691, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.4, "CB_dir": 4.983603532620691, "gllbsc_dir_gap": 0.0, "standard_energy": 1.3012758306049026, "B_ion": "Sr", "VB_dir": 4.983603532620691, "VB_ind": 4.983603532620691}


unique_id: 54c462585c271758292a62a98d1930cf
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Be", "anion": "O3", "combination": "ABO3", "CB_ind": 5.752140703945693, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.54, "CB_dir": 5.752140703945693, "gllbsc_dir_gap": 0.0, "standard_energy": 1.2540137614949487, "B_ion": "Li", "VB_dir": 5.752140703945693, "VB_ind": 5.752140703945693}


unique_id: 2773f838826d1e6cd96adf052ceec9d0
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Al", "anion": "O3", "combination": "ABO3", "CB_ind": 5.927700377500504, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.54, "CB_dir": 5.927700377500504, "gllbsc_dir_gap": 0.0, "standard_energy": -2.956558693276074, "B_ion": "Ir", "VB_dir": 5.927700377500504, "VB_ind": 5.927700377500504}


unique_id: a51332573f7f1a42601fd321504eed68
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ba", "anion": "O3", "combination": "ABO3", "CB_ind": 5.157771298792426, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.32, "CB_dir": 5.157771298792426, "gllbsc_dir_gap": 0.0, "standard_energy": -13.041835801250139, "B_ion": "Y", "VB_dir": 5.157771298792426, "VB_ind": 5.157771298792426}


unique_id: 7340780c3bdf35bf6507fcbd72c2ca86
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Te", "anion": "O3", "combination": "ABO3", "CB_ind": 5.960634073679862, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.86, "CB_dir": 5.960634073679862, "gllbsc_dir_gap": 0.0, "standard_energy": -6.371635840918403, "B_ion": "Al", "VB_dir": 5.960634073679862, "VB_ind": 5.960634073679862}


unique_id: 1aa4ec3f8b253ad3ad63926eb11bf48e
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Fe", "anion": "O3", "combination": "ABO3", "CB_ind": 5.976855108233935, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.26, "CB_dir": 5.976855108233935, "gllbsc_dir_gap": 0.0, "standard_energy": -1.1266100771540017, "B_ion": "Ni", "VB_dir": 5.976855108233935, "VB_ind": 5.976855108233935}


unique_id: 19549dd237d558a3e55a06336af36e35
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ti", "anion": "O3", "combination": "ABO3", "CB_ind": 5.594346895663059, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.58, "CB_dir": 5.594346895663059, "gllbsc_dir_gap": 0.0, "standard_energy": -8.318058565194253, "B_ion": "Mn", "VB_dir": 5.594346895663059, "VB_ind": 5.594346895663059}


unique_id: ad6bb2c2e0e8236956202873013e6567
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Mn", "anion": "O3", "combination": "ABO3", "CB_ind": 5.883857793050782, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.36, "CB_dir": 5.883857793050782, "gllbsc_dir_gap": 0.0, "standard_energy": -0.6228631785412158, "B_ion": "Ag", "VB_dir": 5.883857793050782, "VB_ind": 5.883857793050782}


unique_id: 9b05a57bd831334a4ad18d4ba9dd8114
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Sc", "anion": "O3", "combination": "ABO3", "CB_ind": 5.269813565388673, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.98, "CB_dir": 5.269813565388673, "gllbsc_dir_gap": 0.0, "standard_energy": -2.7345212513718575, "B_ion": "Na", "VB_dir": 5.269813565388673, "VB_ind": 5.269813565388673}


unique_id: 890c8d222a4da747300c0bc9a26ed696
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Si", "anion": "O3", "combination": "ABO3", "CB_ind": 5.718889107118606, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.68, "CB_dir": 5.718889107118606, "gllbsc_dir_gap": 0.0, "standard_energy": -3.261789803894689, "B_ion": "Li", "VB_dir": 5.718889107118606, "VB_ind": 5.718889107118606}


unique_id: 68a946fd8105fa54c887c89a4eaa41dc
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Os", "anion": "O3", "combination": "ABO3", "CB_ind": 6.214631064378151, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.18, "CB_dir": 6.214631064378151, "gllbsc_dir_gap": 0.0, "standard_energy": 3.530790185964588, "B_ion": "Ag", "VB_dir": 6.214631064378151, "VB_ind": 6.214631064378151}


unique_id: e19a9e208da86df357231be108ebec45
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Be", "anion": "O3", "combination": "ABO3", "CB_ind": 3.761259442301958, "gllbsc_ind_gap": 4.3, "heat_of_formation_all": 0.6, "CB_dir": 3.441259442301958, "gllbsc_dir_gap": 4.9, "standard_energy": -10.887942980187873, "B_ion": "Ti", "VB_dir": 8.381259442301959, "VB_ind": 8.061259442301958}


unique_id: e7df508f772aa1ff4c47158898a826ca
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Sc", "anion": "O3", "combination": "ABO3", "CB_ind": 5.100225194391704, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.6, "CB_dir": 5.100225194391704, "gllbsc_dir_gap": 0.0, "standard_energy": 0.6285386860746804, "B_ion": "K", "VB_dir": 5.100225194391704, "VB_ind": 5.100225194391704}


unique_id: 4342f6c7b24537b03130ce0252cc8d5f
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "B", "anion": "O3", "combination": "ABO3", "CB_ind": 5.673740265640089, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.32, "CB_dir": 5.673740265640089, "gllbsc_dir_gap": 0.0, "standard_energy": -1.1459139679183945, "B_ion": "Al", "VB_dir": 5.673740265640089, "VB_ind": 5.673740265640089}


unique_id: e7f7579f240290148359eb779820b8e3
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Si", "anion": "O3", "combination": "ABO3", "CB_ind": 6.413670252288297, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.8, "CB_dir": 6.413670252288297, "gllbsc_dir_gap": 0.0, "standard_energy": -1.2529886078159365, "B_ion": "Ir", "VB_dir": 6.413670252288297, "VB_ind": 6.413670252288297}


unique_id: 2221908e80f1cbb467ae0ccec08c24e7
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Cd", "anion": "O3", "combination": "ABO3", "CB_ind": 5.710297531064099, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.62, "CB_dir": 5.710297531064099, "gllbsc_dir_gap": 0.0, "standard_energy": -7.574234764079659, "B_ion": "Al", "VB_dir": 5.710297531064099, "VB_ind": 5.710297531064099}


unique_id: 1739a6a35abb7798fd4e5627546a027b
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Mo", "anion": "O3", "combination": "ABO3", "CB_ind": 5.901787907965195, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.32, "CB_dir": 5.901787907965195, "gllbsc_dir_gap": 0.0, "standard_energy": -0.7491003497968727, "B_ion": "Rh", "VB_dir": 5.901787907965195, "VB_ind": 5.901787907965195}


unique_id: a6817f94974cb846d99a2301a807ca3d
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Zn", "anion": "O3", "combination": "ABO3", "CB_ind": 5.646123540172043, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.46, "CB_dir": 5.646123540172043, "gllbsc_dir_gap": 0.0, "standard_energy": -4.438434321513625, "B_ion": "La", "VB_dir": 5.646123540172043, "VB_ind": 5.646123540172043}


unique_id: 6d786dc020282caeab3d2774791d0c2c
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Mo", "anion": "O3", "combination": "ABO3", "CB_ind": 5.742435960741016, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.2, "CB_dir": 5.742435960741016, "gllbsc_dir_gap": 0.0, "standard_energy": -3.2076112071272522, "B_ion": "Mg", "VB_dir": 5.742435960741016, "VB_ind": 5.742435960741016}


unique_id: e40543815cde934755646be3eeb6eb0a
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Hg", "anion": "O3", "combination": "ABO3", "CB_ind": 6.135133363651519, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.5, "CB_dir": 6.135133363651519, "gllbsc_dir_gap": 0.0, "standard_energy": -4.856460556275854, "B_ion": "Mo", "VB_dir": 6.135133363651519, "VB_ind": 6.135133363651519}


unique_id: 89a3e2d225b61a506734e558e8cf7894
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Zn", "anion": "O3", "combination": "ABO3", "CB_ind": 6.207222822147223, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.82, "CB_dir": 6.207222822147223, "gllbsc_dir_gap": 0.0, "standard_energy": -3.5285305059550662, "B_ion": "Sb", "VB_dir": 6.207222822147223, "VB_ind": 6.207222822147223}


unique_id: d01ba146ee4da9f8cdec06030124ba7b
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Hf", "anion": "O3", "combination": "ABO3", "CB_ind": 5.784953384288482, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.98, "CB_dir": 5.784953384288482, "gllbsc_dir_gap": 0.0, "standard_energy": -2.640313283315172, "B_ion": "Pd", "VB_dir": 5.784953384288482, "VB_ind": 5.784953384288482}


unique_id: 6405d178695ddeb6660ab49b58bb02f8
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ti", "anion": "O3", "combination": "ABO3", "CB_ind": 5.811433967493277, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.64, "CB_dir": 5.811433967493277, "gllbsc_dir_gap": 0.0, "standard_energy": -3.0525187966776697, "B_ion": "Ru", "VB_dir": 5.811433967493277, "VB_ind": 5.811433967493277}


unique_id: fb10d5d5ad5d9a23d4db50d91a1713ff
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "W", "anion": "O3", "combination": "ABO3", "CB_ind": 5.748000726851131, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.98, "CB_dir": 5.748000726851131, "gllbsc_dir_gap": 0.0, "standard_energy": -7.3378086322277145, "B_ion": "Sc", "VB_dir": 5.748000726851131, "VB_ind": 5.748000726851131}


unique_id: a1cf1e3224e05efd07a6d3d84ccaa2fd
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ni", "anion": "O3", "combination": "ABO3", "CB_ind": 6.348658840495298, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.58, "CB_dir": 6.348658840495298, "gllbsc_dir_gap": 0.0, "standard_energy": 0.5056843332894818, "B_ion": "Tl", "VB_dir": 6.348658840495298, "VB_ind": 6.348658840495298}


unique_id: 6154e6895919aef6c2bbe7dac7dacf6d
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ni", "anion": "O3", "combination": "ABO3", "CB_ind": 6.3670543936717205, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.58, "CB_dir": 6.3670543936717205, "gllbsc_dir_gap": 0.0, "standard_energy": 0.47857236611257914, "B_ion": "Pt", "VB_dir": 6.3670543936717205, "VB_ind": 6.3670543936717205}


unique_id: f473681199280daedbff2e8598beae4e
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "K", "anion": "O3", "combination": "ABO3", "CB_ind": 4.749886480860325, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.02, "CB_dir": 4.749886480860325, "gllbsc_dir_gap": 0.0, "standard_energy": 2.544191899194654, "B_ion": "Rb", "VB_dir": 4.749886480860325, "VB_ind": 4.749886480860325}


unique_id: 674d367c2b290cea4716533018b06122
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Sc", "anion": "O3", "combination": "ABO3", "CB_ind": 5.799330310527738, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.8, "CB_dir": 5.799330310527738, "gllbsc_dir_gap": 0.0, "standard_energy": -8.170668073330928, "B_ion": "Ge", "VB_dir": 5.799330310527738, "VB_ind": 5.799330310527738}


unique_id: 3e67524b8d4a8953514a064972c63e09
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Al", "anion": "O3", "combination": "ABO3", "CB_ind": 4.959830274403763, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.18, "CB_dir": 4.959830274403763, "gllbsc_dir_gap": 0.0, "standard_energy": 0.228523131019708, "B_ion": "Cs", "VB_dir": 4.959830274403763, "VB_ind": 4.959830274403763}


unique_id: cf5d9b88b6aab10932bf8343adbad086
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Bi", "anion": "O3", "combination": "ABO3", "CB_ind": 6.280820605295078, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.12, "CB_dir": 6.280820605295078, "gllbsc_dir_gap": 0.0, "standard_energy": -1.7731053380907502, "B_ion": "Pt", "VB_dir": 6.280820605295078, "VB_ind": 6.280820605295078}


unique_id: f7c93117fd99548096e261fa189272c5
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "La", "anion": "O3", "combination": "ABO3", "CB_ind": 4.904140574210537, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.68, "CB_dir": 4.904140574210537, "gllbsc_dir_gap": 0.0, "standard_energy": -11.15931211299603, "B_ion": "Ca", "VB_dir": 4.904140574210537, "VB_ind": 4.904140574210537}


unique_id: c64cb3fbdef80467eedf6de4cb330f04
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ag", "anion": "O3", "combination": "ABO3", "CB_ind": 6.098535861178302, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.64, "CB_dir": 6.098535861178302, "gllbsc_dir_gap": 0.0, "standard_energy": 0.5765129193361322, "B_ion": "Zn", "VB_dir": 6.098535861178302, "VB_ind": 6.098535861178302}


unique_id: e5fca6b5f8da621c607077b2e155c204
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Rh", "anion": "O3", "combination": "ABO3", "CB_ind": 6.059582170020341, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.78, "CB_dir": 6.059582170020341, "gllbsc_dir_gap": 0.0, "standard_energy": 1.5164809325927768, "B_ion": "Pd", "VB_dir": 6.059582170020341, "VB_ind": 6.059582170020341}


unique_id: 279c3912e9369aaf7ef486f6f155eb27
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "B", "anion": "O3", "combination": "ABO3", "CB_ind": 5.540352741766177, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 3.82, "CB_dir": 5.540352741766177, "gllbsc_dir_gap": 0.0, "standard_energy": 9.10847109297488, "B_ion": "Na", "VB_dir": 5.540352741766177, "VB_ind": 5.540352741766177}


unique_id: 27dbcf18554e8a20e1e984e4be57a258
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Nb", "anion": "O3", "combination": "ABO3", "CB_ind": 5.985927972306889, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.54, "CB_dir": 5.985927972306889, "gllbsc_dir_gap": 0.0, "standard_energy": -1.0477519560728474, "B_ion": "Ru", "VB_dir": 5.985927972306889, "VB_ind": 5.985927972306889}


unique_id: c79535770a4349ff0cd9cb0e9745b355
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ba", "anion": "O3", "combination": "ABO3", "CB_ind": 5.284019901821729, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": -0.3, "CB_dir": 5.284019901821729, "gllbsc_dir_gap": 0.0, "standard_energy": -11.7947371306444, "B_ion": "V", "VB_dir": 5.284019901821729, "VB_ind": 5.284019901821729}


unique_id: 92af84d560ba9f6a6940a3f157ef8dae
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Sr", "anion": "O3", "combination": "ABO3", "CB_ind": 4.8115430229995795, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.62, "CB_dir": 4.8115430229995795, "gllbsc_dir_gap": 0.0, "standard_energy": -11.097435487509514, "B_ion": "La", "VB_dir": 4.8115430229995795, "VB_ind": 4.8115430229995795}


unique_id: ee523af24c5137fd37ccfaf1450a70f6
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Al", "anion": "O3", "combination": "ABO3", "CB_ind": 5.753466100092961, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.2, "CB_dir": 5.753466100092961, "gllbsc_dir_gap": 0.0, "standard_energy": -4.6791171081622505, "B_ion": "Ge", "VB_dir": 5.753466100092961, "VB_ind": 5.753466100092961}


unique_id: 67dafdaf53ffef6e8c500764ed1bc612
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Re", "anion": "O3", "combination": "ABO3", "CB_ind": 6.079308854930481, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.72, "CB_dir": 6.079308854930481, "gllbsc_dir_gap": 0.0, "standard_energy": 1.2680909960885511, "B_ion": "Sb", "VB_dir": 6.079308854930481, "VB_ind": 6.079308854930481}


unique_id: c5e03ed2b3e2537e55336e130472653b
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ti", "anion": "O3", "combination": "ABO3", "CB_ind": 5.693063284021643, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.86, "CB_dir": 5.693063284021643, "gllbsc_dir_gap": 0.0, "standard_energy": -6.948472749878422, "B_ion": "Fe", "VB_dir": 5.693063284021643, "VB_ind": 5.693063284021643}


unique_id: 977b18368a48d86f1e63a4eeafaccdef
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Os", "anion": "O3", "combination": "ABO3", "CB_ind": 5.998564672988048, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.48, "CB_dir": 5.998564672988048, "gllbsc_dir_gap": 0.0, "standard_energy": 0.05455970172055835, "B_ion": "Mn", "VB_dir": 5.998564672988048, "VB_ind": 5.998564672988048}


unique_id: b39afd0f27bf6f182442d5e920106750
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Au", "anion": "O3", "combination": "ABO3", "CB_ind": 5.651390533858198, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.98, "CB_dir": 5.651390533858198, "gllbsc_dir_gap": 0.0, "standard_energy": 7.55400683205655, "B_ion": "Rb", "VB_dir": 5.651390533858198, "VB_ind": 5.651390533858198}


unique_id: 913632ef292cc725af4a774b75061a5f
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Fe", "anion": "O3", "combination": "ABO3", "CB_ind": 5.7795068181647595, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.64, "CB_dir": 5.7795068181647595, "gllbsc_dir_gap": 0.0, "standard_energy": -4.195321838102503, "B_ion": "Mn", "VB_dir": 5.7795068181647595, "VB_ind": 5.7795068181647595}


unique_id: f3b0e3a9a8f115ab19699ede6766d0ae
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Y", "anion": "O3", "combination": "ABO3", "CB_ind": 5.695418710266024, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.78, "CB_dir": 5.695418710266024, "gllbsc_dir_gap": 0.0, "standard_energy": -8.553322286113238, "B_ion": "W", "VB_dir": 5.695418710266024, "VB_ind": 5.695418710266024}


unique_id: fb052b4c9f21248e94da8f06f424eee5
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Hg", "anion": "O3", "combination": "ABO3", "CB_ind": 5.466381139570856, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.32, "CB_dir": 5.466381139570856, "gllbsc_dir_gap": 0.0, "standard_energy": 4.175406205771189, "B_ion": "Cs", "VB_dir": 5.466381139570856, "VB_ind": 5.466381139570856}


unique_id: f3ada03d1b87eb6917f846386a8687ee
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Li", "anion": "O3", "combination": "ABO3", "CB_ind": 5.749790972481619, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.78, "CB_dir": 5.749790972481619, "gllbsc_dir_gap": 0.0, "standard_energy": -4.864017909964963, "B_ion": "Os", "VB_dir": 5.749790972481619, "VB_ind": 5.749790972481619}


unique_id: e64e1cf99e71863887ff306bf2927ec6
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Pb", "anion": "O3", "combination": "ABO3", "CB_ind": 5.784686499644852, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.18, "CB_dir": 5.784686499644852, "gllbsc_dir_gap": 0.0, "standard_energy": -6.4351149634240645, "B_ion": "Mo", "VB_dir": 5.784686499644852, "VB_ind": 5.784686499644852}


unique_id: eefe1dd40f766d8d95362da0b4c55e4d
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ge", "anion": "O3", "combination": "ABO3", "CB_ind": 5.799330310527738, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.98, "CB_dir": 5.799330310527738, "gllbsc_dir_gap": 0.0, "standard_energy": -7.318879534009811, "B_ion": "Sc", "VB_dir": 5.799330310527738, "VB_ind": 5.799330310527738}


unique_id: 1229ed3d90d51ddbc864b94b99d633bf
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ga", "anion": "O3", "combination": "ABO3", "CB_ind": 5.285771317487178, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.24, "CB_dir": 5.285771317487178, "gllbsc_dir_gap": 0.0, "standard_energy": -5.605446056777823, "B_ion": "La", "VB_dir": 5.285771317487178, "VB_ind": 5.285771317487178}


unique_id: 3cb23f0767f5da2f881f39f26117cc91
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Re", "anion": "O3", "combination": "ABO3", "CB_ind": 5.819943675677632, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.44, "CB_dir": 5.819943675677632, "gllbsc_dir_gap": 0.0, "standard_energy": -0.19158974878753554, "B_ion": "Mo", "VB_dir": 5.819943675677632, "VB_ind": 5.819943675677632}


unique_id: bcc71874fd9ecd399f0ea2992d25e523
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ge", "anion": "O3", "combination": "ABO3", "CB_ind": 6.469395687374866, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.56, "CB_dir": 6.469395687374866, "gllbsc_dir_gap": 0.0, "standard_energy": 0.38620584010187464, "B_ion": "Au", "VB_dir": 6.469395687374866, "VB_ind": 6.469395687374866}


unique_id: c5a0888ef4a97ff22ef73afafe80420e
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Nb", "anion": "O3", "combination": "ABO3", "CB_ind": 5.591379626287641, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.58, "CB_dir": 5.591379626287641, "gllbsc_dir_gap": 0.0, "standard_energy": -6.1036183761045955, "B_ion": "Ga", "VB_dir": 5.591379626287641, "VB_ind": 5.591379626287641}


unique_id: 9293022eb2c5033cf805347c5df69dbf
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Os", "anion": "O3", "combination": "ABO3", "CB_ind": 6.174935828562044, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.4, "CB_dir": 6.174935828562044, "gllbsc_dir_gap": 0.0, "standard_energy": -0.35063443273765493, "B_ion": "Sn", "VB_dir": 6.174935828562044, "VB_ind": 6.174935828562044}


unique_id: 4d12bf98c0297b830a5d20f68c067fbc
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Re", "anion": "O3", "combination": "ABO3", "CB_ind": 5.93471067478779, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.7, "CB_dir": 5.93471067478779, "gllbsc_dir_gap": 0.0, "standard_energy": 1.122033110554657, "B_ion": "Rh", "VB_dir": 5.93471067478779, "VB_ind": 5.93471067478779}


unique_id: cde288e2ad42f8e646f323030c6b3d39
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "W", "anion": "O3", "combination": "ABO3", "CB_ind": 5.287520414930882, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.32, "CB_dir": 5.287520414930882, "gllbsc_dir_gap": 0.0, "standard_energy": -3.9037421478657173, "B_ion": "Ca", "VB_dir": 5.287520414930882, "VB_ind": 5.287520414930882}


unique_id: 3396887dc9ad50887b0b8188a6f15903
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Os", "anion": "O3", "combination": "ABO3", "CB_ind": 6.5489838610082565, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.3, "CB_dir": 6.5489838610082565, "gllbsc_dir_gap": 0.0, "standard_energy": 4.1607778940576825, "B_ion": "Au", "VB_dir": 6.5489838610082565, "VB_ind": 6.5489838610082565}


unique_id: ddb12b8dfde593fc4360987e7b64735d
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ag", "anion": "O3", "combination": "ABO3", "CB_ind": 6.056856310990657, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.48, "CB_dir": 6.056856310990657, "gllbsc_dir_gap": 0.0, "standard_energy": -0.019021185682255304, "B_ion": "Rh", "VB_dir": 6.056856310990657, "VB_ind": 6.056856310990657}


unique_id: 9415bfddcc5217eb636ecf9de425136c
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Nb", "anion": "O3", "combination": "ABO3", "CB_ind": 6.194371318849076, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.44, "CB_dir": 6.194371318849076, "gllbsc_dir_gap": 0.0, "standard_energy": -1.5926772889729666, "B_ion": "Ir", "VB_dir": 6.194371318849076, "VB_ind": 6.194371318849076}


unique_id: ac92900ceb24177d5861b03fff9a5d74
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ca", "anion": "O3", "combination": "ABO3", "CB_ind": 5.402574170266571, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.98, "CB_dir": 5.402574170266571, "gllbsc_dir_gap": 0.0, "standard_energy": -8.311149225411713, "B_ion": "Be", "VB_dir": 5.402574170266571, "VB_ind": 5.402574170266571}


unique_id: f535c90d8cff90dffc81e78369113837
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Pt", "anion": "O3", "combination": "ABO3", "CB_ind": 6.130110477428051, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.24, "CB_dir": 6.130110477428051, "gllbsc_dir_gap": 0.0, "standard_energy": -5.833843077608402, "B_ion": "Zr", "VB_dir": 6.130110477428051, "VB_ind": 6.130110477428051}


unique_id: 99c7df56e5e2a71a86a237d4d6bf202e
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Sr", "anion": "O3", "combination": "ABO3", "CB_ind": 5.422473693263079, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.88, "CB_dir": 5.422473693263079, "gllbsc_dir_gap": 0.0, "standard_energy": -5.6032927765368274, "B_ion": "Tl", "VB_dir": 5.422473693263079, "VB_ind": 5.422473693263079}


unique_id: 88f56923618703c3d7254353001f913f
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Rh", "anion": "O3", "combination": "ABO3", "CB_ind": 5.964019314004662, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.3, "CB_dir": 5.964019314004662, "gllbsc_dir_gap": 0.0, "standard_energy": -0.8604000416291839, "B_ion": "Bi", "VB_dir": 5.964019314004662, "VB_ind": 5.964019314004662}


unique_id: 4f978a7e627c5188e78f98324dcae164
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ag", "anion": "O3", "combination": "ABO3", "CB_ind": 5.939727227376371, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.4, "CB_dir": 5.939727227376371, "gllbsc_dir_gap": 0.0, "standard_energy": -5.343021743885508, "B_ion": "Mo", "VB_dir": 5.939727227376371, "VB_ind": 5.939727227376371}


unique_id: 4ab9be41008c428ea5736f05dc6818d1
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ta", "anion": "O3", "combination": "ABO3", "CB_ind": 6.2596236965527545, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.34, "CB_dir": 6.2596236965527545, "gllbsc_dir_gap": 0.0, "standard_energy": -1.9980033938803565, "B_ion": "Te", "VB_dir": 6.2596236965527545, "VB_ind": 6.2596236965527545}


unique_id: 864c6464329c0085159cfa9e84dacc84
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Cd", "anion": "O3", "combination": "ABO3", "CB_ind": 6.322167274111062, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.12, "CB_dir": 6.322167274111062, "gllbsc_dir_gap": 0.0, "standard_energy": -1.8050652151209055, "B_ion": "Ir", "VB_dir": 6.322167274111062, "VB_ind": 6.322167274111062}


unique_id: 68b8209c3084ec550d16d7c1cf7bd47c
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Cu", "anion": "O3", "combination": "ABO3", "CB_ind": 5.983584975905249, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.68, "CB_dir": 5.983584975905249, "gllbsc_dir_gap": 0.0, "standard_energy": -4.003380248766922, "B_ion": "Re", "VB_dir": 5.983584975905249, "VB_ind": 5.983584975905249}


unique_id: 91a7119a80c4f6f2226ffd16c8d6eb30
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Cd", "anion": "O3", "combination": "ABO3", "CB_ind": 6.375713157853484, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.24, "CB_dir": 6.375713157853484, "gllbsc_dir_gap": 0.0, "standard_energy": -1.1371288919487834, "B_ion": "Pt", "VB_dir": 6.375713157853484, "VB_ind": 6.375713157853484}


unique_id: 313c9d86b9df7cbb3c0c20703e7e118a
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Sc", "anion": "O3", "combination": "ABO3", "CB_ind": 6.00814974001455, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.2, "CB_dir": 6.00814974001455, "gllbsc_dir_gap": 0.0, "standard_energy": -6.167665977410271, "B_ion": "Te", "VB_dir": 6.00814974001455, "VB_ind": 6.00814974001455}


unique_id: 643a7b8e982084eb756cbd7f0e8430c1
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "In", "anion": "O3", "combination": "ABO3", "CB_ind": 4.925361909816816, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.02, "CB_dir": 4.925361909816816, "gllbsc_dir_gap": 0.0, "standard_energy": 2.731175208107486, "B_ion": "Cs", "VB_dir": 4.925361909816816, "VB_ind": 4.925361909816816}


unique_id: fd2b7c8f56e7ede7c53cca9750dd32e6
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Y", "anion": "O3", "combination": "ABO3", "CB_ind": 5.816970939592197, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.08, "CB_dir": 5.816970939592197, "gllbsc_dir_gap": 0.0, "standard_energy": -7.059099506194313, "B_ion": "Os", "VB_dir": 5.816970939592197, "VB_ind": 5.816970939592197}


unique_id: 47b98a7c0f28b7bae25a4d4c2149cf7a
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ca", "anion": "O3", "combination": "ABO3", "CB_ind": 5.287520414930882, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.74, "CB_dir": 5.287520414930882, "gllbsc_dir_gap": 0.0, "standard_energy": -6.750014749357101, "B_ion": "Ni", "VB_dir": 5.287520414930882, "VB_ind": 5.287520414930882}


unique_id: 51eb38f21dd534fbcd93cef0053343f7
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Cr", "anion": "O3", "combination": "ABO3", "CB_ind": 5.881205015690261, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.08, "CB_dir": 5.881205015690261, "gllbsc_dir_gap": 0.0, "standard_energy": -1.9954105046029373, "B_ion": "Cd", "VB_dir": 5.881205015690261, "VB_ind": 5.881205015690261}


unique_id: a4908b7431661d9d7e42e836f7261e35
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Al", "anion": "O3", "combination": "ABO3", "CB_ind": 5.960634073679862, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.28, "CB_dir": 5.960634073679862, "gllbsc_dir_gap": 0.0, "standard_energy": 0.7065751415326016, "B_ion": "Tl", "VB_dir": 5.960634073679862, "VB_ind": 5.960634073679862}


unique_id: 2729a603b9e83318def05d163509a902
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Te", "anion": "O3", "combination": "ABO3", "CB_ind": 6.655221183479855, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.54, "CB_dir": 6.655221183479855, "gllbsc_dir_gap": 0.0, "standard_energy": 0.2808420640261984, "B_ion": "Pt", "VB_dir": 6.655221183479855, "VB_ind": 6.655221183479855}


unique_id: bfd9843ab6d9e36c8de7794bddb9e664
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Au", "anion": "O3", "combination": "ABO3", "CB_ind": 6.426642630415454, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.86, "CB_dir": 6.426642630415454, "gllbsc_dir_gap": 0.0, "standard_energy": 1.6786068016649782, "B_ion": "Zn", "VB_dir": 6.426642630415454, "VB_ind": 6.426642630415454}


