# systems

unique_id: a7f9c8d61f0e0722ecf2ad1be01bdfb5
username: fras
calculator: gpaw
calculator_parameters: "{}"
data: null
key_value_pairs:
  {"hform": -0.139, "name": "CrTe2", "hform_fere": -0.192, "cbm": -5.131509914512993, "phase": "T", "vbm": -5.131509914512993, "a": 3.6733573272188758, "dir_gap": 0.0, "xc": "PBE", "project": "c2dm", "ind_gap": 0.0}


unique_id: c4fd328b74ffd352b3c7feff6303591b
username: fras
calculator: gpaw
calculator_parameters: "{}"
data: null
key_value_pairs:
  {"name": "CrTe2", "cbm": -5.311961219035677, "phase": "T", "vbm": -5.311961219035677, "a": 3.6733573272188758, "dir_gap": 0, "xc": "LDA", "project": "c2dm", "ind_gap": 0}


unique_id: 2e4c9bb677d5dc3588e91ef8c7ebafc6
username: fras
calculator: gpaw
calculator_parameters: "{}"
data: null
key_value_pairs:
  {"hform": -1.585, "name": "MnO2", "hform_fere": -1.996, "cbm": -7.141476371201861, "phase": "T", "vbm": -7.141476371201861, "a": 2.887855896198649, "dir_gap": 0.0, "xc": "PBE", "project": "c2dm", "ind_gap": 0.0}


unique_id: e80ac9e9677bb1d7db029e58748ee992
username: fras
calculator: gpaw
calculator_parameters: "{}"
data: null
key_value_pairs:
  {"name": "MnO2", "cbm": -10.099038599249479, "phase": "T", "vbm": -10.099038599249479, "a": 2.887855896198649, "dir_gap": 0.0, "xc": "GLLBSC", "project": "c2dm", "ind_gap": 0.0}


unique_id: a2618e9ae63d556a69f10798c0c5b06f
username: fras
calculator: gpaw
calculator_parameters: "{}"
data: null
key_value_pairs:
  {"name": "MnO2", "cbm": -7.443399017205493, "phase": "T", "vbm": -7.443399017205493, "a": 2.887855896198649, "dir_gap": 0, "xc": "LDA", "project": "c2dm", "ind_gap": 0}


unique_id: cb2944796c7e5a1d43ffed170680c35b
username: fras
calculator: gpaw
calculator_parameters: "{}"
data: null
key_value_pairs:
  {"hform": 0.648, "name": "AuS2", "hform_fere": 0.655, "cbm": -5.694027737499502, "phase": "H", "vbm": -5.694027737499502, "a": 3.569535390704686, "dir_gap": 0.0, "xc": "PBE", "project": "c2dm", "ind_gap": 0.0}


unique_id: da027f8fa4fa1e24aa384f469c79c794
username: fras
calculator: gpaw
calculator_parameters: "{}"
data: null
key_value_pairs:
  {"name": "AuS2", "cbm": -5.90476507235816, "phase": "H", "vbm": -5.90476507235816, "a": 3.569535390704686, "dir_gap": 0, "xc": "LDA", "project": "c2dm", "ind_gap": 0}


unique_id: d3e5823abfabb47014da765e2e26ee44
username: fras
calculator: gpaw
calculator_parameters: "{}"
data: null
key_value_pairs:
  {"hform": -0.111, "name": "CoSe2", "hform_fere": -0.215, "cbm": -4.699515863858783, "phase": "H", "vbm": -4.699515863858783, "a": 3.3720265981124755, "dir_gap": 0.0, "xc": "PBE", "project": "c2dm", "ind_gap": 0.0}


unique_id: ff66bae29852fa1aa959f34d57a2f8d4
username: fras
calculator: gpaw
calculator_parameters: "{}"
data: null
key_value_pairs:
  {"name": "CoSe2", "cbm": -4.919157250720174, "phase": "H", "vbm": -4.919157250720174, "a": 3.3720265981124755, "dir_gap": 0, "xc": "LDA", "project": "c2dm", "ind_gap": 0}


unique_id: 2bbb81e32a2fa743ff55d184b72dcb3a
username: fras
calculator: gpaw
calculator_parameters: "{}"
data: null
key_value_pairs:
  {"hform": -0.202, "name": "FeSe2", "hform_fere": -0.434, "cbm": -4.822755181274404, "phase": "H", "vbm": -4.822755181274404, "a": 3.2710307478847556, "dir_gap": 0.0, "xc": "PBE", "project": "c2dm", "ind_gap": 0.0}


unique_id: 1de0a05de00e8df50082bf11bd233b79
username: fras
calculator: gpaw
calculator_parameters: "{}"
data: null
key_value_pairs:
  {"name": "FeSe2", "cbm": -5.059180191346522, "phase": "H", "vbm": -5.059180191346522, "a": 3.2710307478847556, "dir_gap": 0, "xc": "LDA", "project": "c2dm", "ind_gap": 0}


unique_id: c2f2ce3536ae3873c445dda71eaf5d4c
username: fras
calculator: gpaw
calculator_parameters: "{}"
data: null
key_value_pairs:
  {"hform": 0.319, "name": "CuS2", "hform_fere": 0.113, "cbm": -5.855315848752891, "phase": "T", "vbm": -5.855315848752891, "a": 3.373968826107789, "dir_gap": 0.0, "xc": "PBE", "project": "c2dm", "ind_gap": 0.0}


unique_id: 5acae69c320fdad9e3449fbba6d13ea5
username: fras
calculator: gpaw
calculator_parameters: "{}"
data: null
key_value_pairs:
  {"name": "CuS2", "cbm": -6.087075505353926, "phase": "T", "vbm": -6.087075505353926, "a": 3.373968826107789, "dir_gap": 0, "xc": "LDA", "project": "c2dm", "ind_gap": 0}


unique_id: 694755b313d0e30a1e698803da48a2c1
username: fras
calculator: gpaw
calculator_parameters: "{}"
data: null
key_value_pairs:
  {"hform": -0.699, "name": "VSe2", "hform_fere": -0.956, "cbm": -5.446472564844717, "phase": "H", "vbm": -5.446472564844717, "a": 3.343523343029876, "dir_gap": 0.0, "xc": "PBE", "project": "c2dm", "ind_gap": 0.0}


unique_id: 824642c8a816aae8570bfcac9ae8fb3c
username: fras
calculator: gpaw
calculator_parameters: "{}"
data: null
key_value_pairs:
  {"name": "VSe2", "cbm": -5.751560915603618, "phase": "H", "vbm": -5.751560915603618, "a": 3.343523343029876, "dir_gap": 0, "xc": "LDA", "project": "c2dm", "ind_gap": 0}


unique_id: bc81dd89967212a9e0f465f7bd7dbf93
username: fras
calculator: gpaw
calculator_parameters: "{}"
data: null
key_value_pairs:
  {"hform": 0.2, "name": "CuSe2", "hform_fere": 0.047, "cbm": -5.416066904594402, "phase": "T", "vbm": -5.416066904594402, "a": 3.4145779918437333, "dir_gap": 0.0, "xc": "PBE", "project": "c2dm", "ind_gap": 0.0}


unique_id: c3027147abfb2ca8cb905349aab1559e
username: fras
calculator: gpaw
calculator_parameters: "{}"
data: null
key_value_pairs:
  {"name": "CuSe2", "cbm": -5.677612165374057, "phase": "T", "vbm": -5.677612165374057, "a": 3.4145779918437333, "dir_gap": 0, "xc": "LDA", "project": "c2dm", "ind_gap": 0}


unique_id: 11603e4f085d9c2098df923291aacc33
username: fras
calculator: gpaw
calculator_parameters: "{}"
data: null
key_value_pairs:
  {"hform": -0.129, "name": "RuS2", "hform_fere": -0.117, "cbm": -5.847790581250506, "phase": "T", "vbm": -5.847790581250506, "a": 3.344609777694601, "dir_gap": 0.0, "xc": "PBE", "project": "c2dm", "ind_gap": 0.0}


unique_id: f7bcd0b346653f8867daa35c49bc85db
username: fras
calculator: gpaw
calculator_parameters: "{}"
data: null
key_value_pairs:
  {"name": "RuS2", "cbm": -5.989783382799196, "phase": "T", "vbm": -5.989783382799196, "a": 3.344609777694601, "dir_gap": 0, "xc": "LDA", "project": "c2dm", "ind_gap": 0}


unique_id: c58a9f0a2457df2add407bb5184c34e0
username: fras
calculator: gpaw
calculator_parameters: "{}"
data: null
key_value_pairs:
  {"hform": 0.142, "name": "GeS2", "hform_fere": -0.052, "cbm": -5.985673677926709, "phase": "H", "vbm": -5.985673677926709, "a": 3.3794729858624732, "dir_gap": 0.0, "xc": "PBE", "project": "c2dm", "ind_gap": 0.0}


unique_id: 4e29c213c76c8f15cf46e79c543d4fe1
username: fras
calculator: gpaw
calculator_parameters: "{}"
data: null
key_value_pairs:
  {"name": "GeS2", "cbm": -6.2315746357327395, "phase": "H", "vbm": -6.2315746357327395, "a": 3.3794729858624732, "dir_gap": 0, "xc": "LDA", "project": "c2dm", "ind_gap": 0}


unique_id: 47cef7b9699e3e578fb6c1ed9ed66aca
username: fras
calculator: gpaw
calculator_parameters: "{}"
data: null
key_value_pairs:
  {"hform": -0.056, "name": "WTe2", "hform_fere": 0.127, "cbm": -3.6240992133226912, "phase": "H", "vbm": -4.699680569091792, "a": 3.55007622207136, "dir_gap": 1.0755815295137883, "xc": "PBE", "project": "c2dm", "ind_gap": 1.0755813557691014}


unique_id: e02245f2e785dd0791117fd04f172889
username: fras
calculator: gpaw
calculator_parameters: "{}"
data: null
key_value_pairs:
  {"name": "WTe2", "cbm": -4.1520721547345385, "phase": "H", "vbm": -5.197306399346642, "a": 3.55007622207136, "dir_gap": 1.0452342446121043, "xc": "GLLBSC", "project": "c2dm", "ind_gap": 1.0452342446121043}


unique_id: 940d1fac022d6d6d847a089609b7088c
username: fras
calculator: gpaw
calculator_parameters: "{}"
data: null
key_value_pairs:
  {"name": "WTe2", "cbm": -3.9148471114005505, "phase": "H", "vbm": -4.979988433871535, "a": 3.55007622207136, "dir_gap": 1.0651413224709845, "xc": "LDA", "project": "c2dm", "ind_gap": 1.0651413224709845}


unique_id: daa9876a45b5fb920db375febee20b0f
username: fras
calculator: gpaw
calculator_parameters: "{}"
data: null
key_value_pairs:
  {"hform": -0.288, "name": "TaTe2", "hform_fere": -0.316, "cbm": -4.408521421398791, "phase": "T", "vbm": -4.408521421398791, "a": 3.678549269004252, "dir_gap": 0.0, "xc": "PBE", "project": "c2dm", "ind_gap": 0.0}


unique_id: 71cc13444b5bca7aa7bf6503b394333d
username: fras
calculator: gpaw
calculator_parameters: "{}"
data: null
key_value_pairs:
  {"name": "TaTe2", "cbm": -4.693874268157399, "phase": "T", "vbm": -4.693874268157399, "a": 3.678549269004252, "dir_gap": 0, "xc": "LDA", "project": "c2dm", "ind_gap": 0}


unique_id: 1ca5de98eb7df5459fc3a73c535f5932
username: fras
calculator: gpaw
calculator_parameters: "{}"
data: null
key_value_pairs:
  {"hform": -0.004, "name": "RhS2", "hform_fere": -0.105, "cbm": -5.131581063791685, "phase": "H", "vbm": -5.131581063791685, "a": 3.4136017350101593, "dir_gap": 0.0, "xc": "PBE", "project": "c2dm", "ind_gap": 0.0}


unique_id: 9c98b95d2c95e64fa8f94047f44e764c
username: fras
calculator: gpaw
calculator_parameters: "{}"
data: null
key_value_pairs:
  {"name": "RhS2", "cbm": -5.3215347405238855, "phase": "H", "vbm": -5.3215347405238855, "a": 3.4136017350101593, "dir_gap": 0, "xc": "LDA", "project": "c2dm", "ind_gap": 0}


unique_id: 372997295af9daeaa5ee128115e05703
username: fras
calculator: gpaw
calculator_parameters: "{}"
data: null
key_value_pairs:
  {"hform": -0.779, "name": "TaSe2", "hform_fere": -0.93, "cbm": -4.674051623208765, "phase": "T", "vbm": -4.674051623208765, "a": 3.5022991550304754, "dir_gap": 0.0, "xc": "PBE", "project": "c2dm", "ind_gap": 0.0}


unique_id: acf070962ffaceaf179995138b390904
username: fras
calculator: gpaw
calculator_parameters: "{}"
data: null
key_value_pairs:
  {"name": "TaSe2", "cbm": -4.95350161570956, "phase": "T", "vbm": -4.95350161570956, "a": 3.5022991550304754, "dir_gap": 0, "xc": "LDA", "project": "c2dm", "ind_gap": 0}


unique_id: 745e17c68ffa9759888609df9cfb6ed6
username: fras
calculator: gpaw
calculator_parameters: "{}"
data: null
key_value_pairs:
  {"hform": 0.362, "name": "ReTe2", "hform_fere": 0.722, "cbm": -4.030675147965406, "phase": "T", "vbm": -4.030675147965406, "a": 3.4151565351222195, "dir_gap": 0.0, "xc": "PBE", "project": "c2dm", "ind_gap": 0.0}


unique_id: d74fe1203ec099a71dc50ab3c5383418
username: fras
calculator: gpaw
calculator_parameters: "{}"
data: null
key_value_pairs:
  {"name": "ReTe2", "cbm": -4.3247835395343674, "phase": "T", "vbm": -4.3247835395343674, "a": 3.4151565351222195, "dir_gap": 0, "xc": "LDA", "project": "c2dm", "ind_gap": 0}


unique_id: c55db5a38d1c23e44822c1a723980042
username: fras
calculator: gpaw
calculator_parameters: "{}"
data: null
key_value_pairs:
  {"hform": 0.255, "name": "OsTe2", "hform_fere": 0.792, "cbm": -3.963740533878789, "phase": "H", "vbm": -3.963740533878789, "a": 3.742001446493577, "dir_gap": 0.0, "xc": "PBE", "project": "c2dm", "ind_gap": 0.0}


unique_id: 6c4852d0e833caaac367ec90ec72f448
username: fras
calculator: gpaw
calculator_parameters: "{}"
data: null
key_value_pairs:
  {"name": "OsTe2", "cbm": -4.196173603853136, "phase": "H", "vbm": -4.196173603853136, "a": 3.742001446493577, "dir_gap": 0, "xc": "LDA", "project": "c2dm", "ind_gap": 0}


unique_id: 823de73491d20f0c9180ec0d2ecfe257
username: fras
calculator: gpaw
calculator_parameters: "{}"
data: null
key_value_pairs:
  {"hform": 0.222, "name": "AuSe2", "hform_fere": 0.283, "cbm": -5.101364816447803, "phase": "T", "vbm": -5.101364816447803, "a": 3.804631645186923, "dir_gap": 0.0, "xc": "PBE", "project": "c2dm", "ind_gap": 0.0}


unique_id: 69e13e76733c8abc8c08a0b70836d16e
username: fras
calculator: gpaw
calculator_parameters: "{}"
data: null
key_value_pairs:
  {"name": "AuSe2", "cbm": -5.364368012776726, "phase": "T", "vbm": -5.364368012776726, "a": 3.804631645186923, "dir_gap": 0, "xc": "LDA", "project": "c2dm", "ind_gap": 0}


unique_id: 4546352c0fb22198b0d840fd1e4a44b4
username: fras
calculator: gpaw
calculator_parameters: "{}"
data: null
key_value_pairs:
  {"hform": -0.783, "name": "WS2", "hform_fere": -0.776, "cbm": -3.9037616582811663, "phase": "H", "vbm": -5.720337772955079, "a": 3.1859038631817302, "dir_gap": 1.8166816582421994, "xc": "PBE", "project": "c2dm", "ind_gap": 1.816576114673913}


unique_id: 274c51af6974ab5af3dcaedb3aab736b
username: fras
calculator: gpaw
calculator_parameters: "{}"
data: null
key_value_pairs:
  {"name": "WS2", "cbm": -4.822611018741824, "phase": "H", "vbm": -6.629657325240892, "a": 3.1859038631817302, "dir_gap": 1.8070463064990676, "xc": "GLLBSC", "project": "c2dm", "ind_gap": 1.8070463064990676}


unique_id: e7b1f1dbb3c8c6f4d554b35ebc4502d1
username: fras
calculator: gpaw
calculator_parameters: "{}"
key_value_pairs:
  {"ind_gap_g0w0": 2.4327410773977034, "cbm": -4.23950422466949, "vbm_g0w0": -6.274327424945806, "emass2_g0w0": 0.4624706915924237, "vbm": -5.752470630617238, "hmass2_g0w0": 0.41917326616904976, "a": 3.1859038631817302, "project": "c2dm", "dir_gap_g0w0": 2.4327410773977034, "hmass1_g0w0": 0.4191732661690378, "emass1_g0w0": 0.4624706915924124, "name": "WS2", "phase": "H", "q2d_macro_df_slope": 39.870674104757256, "cbm_g0w0": -3.841586347548103, "dir_gap": 1.512966405947748, "xc": "LDA", "ind_gap": 1.512966405947748}

data:
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unique_id: 57c210e7fef49a9d500db64256c3784e
username: fras
calculator: gpaw
calculator_parameters: "{}"
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