# systems

unique_id: a0092afcb39311f88dab2b4bbb065a9f
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
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unique_id: be591033d7f67235edabdb730bba39dc
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
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unique_id: 8a88a36434a18cf578a72bbbfb5d43ff
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Fe", "anion": "O2S", "combination": "ABO2S", "CB_ind": 5.778615217039629, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.26, "CB_dir": 5.778615217039629, "gllbsc_dir_gap": 0.0, "standard_energy": 0.5348184383721222, "B_ion": "Ru", "VB_dir": 5.778615217039629, "VB_ind": 5.778615217039629}


unique_id: 98d47258a7bec439ceed3051b0200f0d
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ba", "anion": "O2S", "combination": "ABO2S", "CB_ind": 5.40710493616489, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.86, "CB_dir": 5.40710493616489, "gllbsc_dir_gap": 0.0, "standard_energy": -4.7263137212461075, "B_ion": "Os", "VB_dir": 5.40710493616489, "VB_ind": 5.40710493616489}


unique_id: 11d7f8844106ade5f001fa2578c0c535
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "V", "anion": "O2S", "combination": "ABO2S", "CB_ind": 5.43929760151987, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.9, "CB_dir": 5.43929760151987, "gllbsc_dir_gap": 0.0, "standard_energy": -4.911211404370015, "B_ion": "Mg", "VB_dir": 5.43929760151987, "VB_ind": 5.43929760151987}


unique_id: cc956aa4f6652168cda46edf4ede397e
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Si", "anion": "O2S", "combination": "ABO2S", "CB_ind": 5.946729761439542, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.74, "CB_dir": 5.946729761439542, "gllbsc_dir_gap": 0.0, "standard_energy": -0.4427515788680466, "B_ion": "Cd", "VB_dir": 5.946729761439542, "VB_ind": 5.946729761439542}


unique_id: fd95666611b96480ac85f717d3c255d5
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
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unique_id: 5ba4d9622ee2ebb076a0417e4baf5f87
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
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unique_id: 870e245346668bab6a1cf8c4b94d8b0a
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
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unique_id: 1b6a6b7822ec5fa79c3d917667023ec7
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
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unique_id: a1c05b032c794e381a25ab8cfd989e3e
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ge", "anion": "O2S", "combination": "ABO2S", "CB_ind": 5.129989269882387, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 2.84, "CB_dir": 5.129989269882387, "gllbsc_dir_gap": 0.0, "standard_energy": 5.826460557244819, "B_ion": "Cs", "VB_dir": 5.129989269882387, "VB_ind": 5.129989269882387}


unique_id: 835c9b235963f2b9c3898cfb8695a9ae
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
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unique_id: 6c004d366bfc5e974b9e296ac44a9d5d
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Pt", "anion": "O2S", "combination": "ABO2S", "CB_ind": 5.683927045789791, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.0, "CB_dir": 5.683927045789791, "gllbsc_dir_gap": 0.0, "standard_energy": -4.736226850868591, "B_ion": "La", "VB_dir": 5.683927045789791, "VB_ind": 5.683927045789791}


unique_id: e7296bda29f0ae91948d40edcd9736e3
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
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unique_id: 1c3c289bcfa4db5683e82dd1bdea2481
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Hg", "anion": "O2S", "combination": "ABO2S", "CB_ind": 6.259566658491381, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.76, "CB_dir": 6.259566658491381, "gllbsc_dir_gap": 0.0, "standard_energy": 3.5238460551640722, "B_ion": "Hg", "VB_dir": 6.259566658491381, "VB_ind": 6.259566658491381}


unique_id: a18dd66ea06b01e4016870c0e520c63e
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Rh", "anion": "O2S", "combination": "ABO2S", "CB_ind": 5.740346694903606, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.08, "CB_dir": 5.740346694903606, "gllbsc_dir_gap": 0.0, "standard_energy": -0.1257080440201186, "B_ion": "Bi", "VB_dir": 5.740346694903606, "VB_ind": 5.740346694903606}


unique_id: a0052b4ada1a1b0738d36fb82f81a968
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "W", "anion": "O2S", "combination": "ABO2S", "CB_ind": 6.1105608270803895, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.66, "CB_dir": 6.1105608270803895, "gllbsc_dir_gap": 0.0, "standard_energy": 1.9324653585997016, "B_ion": "Tl", "VB_dir": 6.1105608270803895, "VB_ind": 6.1105608270803895}


unique_id: c678c403009e90a86d954b0f8b85d8a6
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "As", "anion": "O2S", "combination": "ABO2S", "CB_ind": 5.828968944427193, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.64, "CB_dir": 5.828968944427193, "gllbsc_dir_gap": 0.0, "standard_energy": -3.416818025567526, "B_ion": "V", "VB_dir": 5.828968944427193, "VB_ind": 5.828968944427193}


unique_id: a71b7627bf40ea7746e51aeb490903be
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "W", "anion": "O2S", "combination": "ABO2S", "CB_ind": 5.18716037893938, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 3.64, "CB_dir": 5.18716037893938, "gllbsc_dir_gap": 0.0, "standard_energy": 9.251828600418811, "B_ion": "K", "VB_dir": 5.18716037893938, "VB_ind": 5.18716037893938}


unique_id: 9ce4e2b4e0d075a4086100ae34293b02
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "W", "anion": "O2S", "combination": "ABO2S", "CB_ind": 5.845977479822443, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.04, "CB_dir": 5.845977479822443, "gllbsc_dir_gap": 0.0, "standard_energy": -0.7071421636212492, "B_ion": "W", "VB_dir": 5.845977479822443, "VB_ind": 5.845977479822443}


unique_id: a1993c5ef793a5cf37f0d3572d0dc3a6
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Co", "anion": "O2S", "combination": "ABO2S", "CB_ind": 5.7092854448996455, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 0.48, "CB_dir": 5.7092854448996455, "gllbsc_dir_gap": 0.0, "standard_energy": -4.7430847040984965, "B_ion": "Nb", "VB_dir": 5.7092854448996455, "VB_ind": 5.7092854448996455}


unique_id: 64ca8facd5e4e67611a02e6069b5d262
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Ge", "anion": "O2S", "combination": "ABO2S", "CB_ind": 5.581834133655554, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.02, "CB_dir": 5.581834133655554, "gllbsc_dir_gap": 0.0, "standard_energy": -5.101994781008312, "B_ion": "Sc", "VB_dir": 5.581834133655554, "VB_ind": 5.581834133655554}


unique_id: 5c43284d9dededdd1488b2a2852aa676
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Li", "anion": "O2S", "combination": "ABO2S", "CB_ind": 5.239597840985276, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.04, "CB_dir": 5.239597840985276, "gllbsc_dir_gap": 0.0, "standard_energy": -4.140703011432577, "B_ion": "Mn", "VB_dir": 5.239597840985276, "VB_ind": 5.239597840985276}


unique_id: 80e4147db91c003ff3d253362ca23bcf
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
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unique_id: b7a6baecd8374916970e8ba0b2e24b4c
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
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unique_id: 99e8d3b5132fff1faf50fe3df16fa727
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
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unique_id: 9f85a1f7c447874d65bc66edf755687e
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Re", "anion": "O2S", "combination": "ABO2S", "CB_ind": 5.738461565864407, "gllbsc_ind_gap": 0.0, "heat_of_formation_all": 1.56, "CB_dir": 5.738461565864407, "gllbsc_dir_gap": 0.0, "standard_energy": 2.0829081445586013, "B_ion": "Ni", "VB_dir": 5.738461565864407, "VB_ind": 5.738461565864407}


unique_id: e4aa95daedfb79f5b3e8aa9a0bed3465
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
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unique_id: 8a273adb010bef72b33dfc6d7dcac466
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
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unique_id: fc73c4297104483cd2d3ca778df82997
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
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key_value_pairs:
  {"project": "cubic_perovskites", "A_ion": "Sr", "anion": "O2S", "combination": "ABO2S", "CB_ind": 3.456044238458614, "gllbsc_ind_gap": 2.6, "heat_of_formation_all": 0.32, "CB_dir": 3.256044238458614, "gllbsc_dir_gap": 3.0, "standard_energy": -11.33663192799807, "B_ion": "Ti", "VB_dir": 6.256044238458614, "VB_ind": 6.056044238458614}


unique_id: 777e088c3ad1397f2a6bcb6ab52a260b
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
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unique_id: d37b84374407803b97d6aecb91034d8c
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
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key_value_pairs:
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unique_id: c94aa85cc71b30d295665592bfcef026
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
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unique_id: a0ccc22bbd6fcfb3705519c62f00a7ae
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
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unique_id: 1e14278d9411e339eb359ecf9740d347
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
data: null
key_value_pairs:
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unique_id: 5f97824bcc1390692f9f7cd92abf1e00
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "RPBE"}
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