# systems

unique_id: d074951d258ce0945a3d67511f238161
username: fras
calculator: gpaw
calculator_parameters: "{}"
data: null
key_value_pairs:
  {"hform": -1.101, "name": "ReO2", "hform_fere": -1.038, "cbm": -6.950898775261718, "phase": "T", "vbm": -6.950898775261718, "a": 2.775571390531287, "dir_gap": 0.0, "xc": "PBE", "project": "c2dm", "ind_gap": 0.0}


unique_id: 8c641ee315e7044a696ab2bca8759997
username: fras
calculator: gpaw
calculator_parameters: "{}"
data: null
key_value_pairs:
  {"name": "ReO2", "cbm": -7.2796874849927296, "phase": "T", "vbm": -7.2796874849927296, "a": 2.775571390531287, "dir_gap": 0, "xc": "LDA", "project": "c2dm", "ind_gap": 0}


unique_id: 266fe239328060368bd89134ff83d54f
username: fras
calculator: gpaw
calculator_parameters: "{}"
data: null
key_value_pairs:
  {"hform": -2.066, "name": "NbO2", "hform_fere": -2.398, "cbm": -5.055502511196287, "phase": "T", "vbm": -5.055502511196287, "a": 3.0736186645297767, "dir_gap": 0.0, "xc": "PBE", "project": "c2dm", "ind_gap": 0.0}


unique_id: 941a8e04214ebf975440677f2614f3b7
username: fras
calculator: gpaw
calculator_parameters: "{}"
data: null
key_value_pairs:
  {"name": "NbO2", "cbm": -5.473573950423044, "phase": "T", "vbm": -5.473573950423044, "a": 3.0736186645297767, "dir_gap": 0, "xc": "LDA", "project": "c2dm", "ind_gap": 0}


unique_id: f86a0549b8c383cdab82b193f357d926
username: fras
calculator: gpaw
calculator_parameters: "{}"
data: null
key_value_pairs:
  {"hform": -2.417, "name": "ScO2", "hform_fere": -2.786, "cbm": -7.628644443028993, "phase": "T", "vbm": -7.628644443028993, "a": 3.2742460726342073, "dir_gap": 0.0, "xc": "PBE", "project": "c2dm", "ind_gap": 0.0}


unique_id: a8bb4cdbacbeae5febb8e1a8c9bf38f2
username: fras
calculator: gpaw
calculator_parameters: "{}"
data: null
key_value_pairs:
  {"name": "ScO2", "cbm": -8.051547226553893, "phase": "T", "vbm": -8.051547226553893, "a": 3.2742460726342073, "dir_gap": 0, "xc": "LDA", "project": "c2dm", "ind_gap": 0}


unique_id: 20396ff4571eaca04049eae6be1cc974
username: fras
calculator: gpaw
calculator_parameters: "{}"
data: null
key_value_pairs:
  {"hform": -0.328, "name": "MnSe2", "hform_fere": -0.565, "cbm": -4.960181157610985, "phase": "H", "vbm": -4.960181157610985, "a": 3.3554313038708785, "dir_gap": 0.0, "xc": "PBE", "project": "c2dm", "ind_gap": 0.0}


unique_id: d495e5758360ca13cd2ec17cb4d7847b
username: fras
calculator: gpaw
calculator_parameters: "{}"
data: null
key_value_pairs:
  {"name": "MnSe2", "cbm": -5.221038718612327, "phase": "H", "vbm": -5.221038718612327, "a": 3.3554313038708785, "dir_gap": 0, "xc": "LDA", "project": "c2dm", "ind_gap": 0}


unique_id: 543e81ae2bdb1ca16b1981a0e6015a6f
username: fras
calculator: gpaw
calculator_parameters: "{}"
data: null
key_value_pairs:
  {"hform": 0.098, "name": "PdS2", "hform_fere": 0.008, "cbm": -4.155901091329698, "phase": "H", "vbm": -4.155901091329698, "a": 3.9154401400646037, "dir_gap": 0.0, "xc": "PBE", "project": "c2dm", "ind_gap": 0.0}


unique_id: 6a34340b8961ec89b66681b026253ea8
username: fras
calculator: gpaw
calculator_parameters: "{}"
data: null
key_value_pairs:
  {"name": "PdS2", "cbm": -4.38307310187245, "phase": "H", "vbm": -4.38307310187245, "a": 3.9154401400646037, "dir_gap": 0, "xc": "LDA", "project": "c2dm", "ind_gap": 0}


unique_id: a5a48af10ab08cb53b6e2ed1d5daeec6
username: fras
calculator: gpaw
calculator_parameters: "{}"
data: null
key_value_pairs:
  {"hform": -0.321, "name": "PtTe2", "hform_fere": -0.23, "cbm": -4.044951805289973, "phase": "T", "vbm": -4.780803548506142, "a": 4.016015889847541, "dir_gap": 1.0349839299273271, "xc": "PBE", "project": "c2dm", "ind_gap": 0.7358517432161698}


unique_id: 60d702d8c10e901751e7073b7490e63e
username: fras
calculator: gpaw
calculator_parameters: "{}"
data: null
key_value_pairs:
  {"name": "PtTe2", "cbm": -4.549837011365771, "phase": "T", "vbm": -5.260151437958354, "a": 4.016015889847541, "dir_gap": 1.0404459681173504, "xc": "GLLBSC", "project": "c2dm", "ind_gap": 0.7103144265925831}


unique_id: c5ddd95a921880eb7c1e9b5d7ea83d1f
username: fras
calculator: gpaw
calculator_parameters: "{}"
key_value_pairs:
  {"ind_gap_g0w0": 1.202965921515881, "cbm": -4.73275040811725, "vbm_g0w0": -4.93019601853588, "emass2_g0w0": 0.38269366124859283, "vbm": -4.73275040811725, "hmass2_g0w0": 1.5730648674041683, "a": 4.016015889847541, "project": "c2dm", "dir_gap_g0w0": 1.724325075603218, "hmass1_g0w0": 1.5730648674039935, "emass1_g0w0": 0.23013958380831026, "name": "PtTe2", "phase": "T", "q2d_macro_df_slope": 75.30027563388002, "cbm_g0w0": -3.7272300970199987, "dir_gap": 0, "xc": "LDA", "ind_gap": 0}

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