# systems

unique_id: 999ca93253607d9391088bf4244b8997
username: fras
calculator: gpaw
calculator_parameters: "{}"
data: null
key_value_pairs:
  {"hform": -0.106, "name": "RuS2", "hform_fere": -0.094, "cbm": -4.736606619738445, "phase": "H", "vbm": -4.736606619738445, "a": 3.3307819606332765, "dir_gap": 0.0, "xc": "PBE", "project": "c2dm", "ind_gap": 0.0}


unique_id: be875ed5c4de84981d5faf1c20d12ad1
username: fras
calculator: gpaw
calculator_parameters: "{}"
data: null
key_value_pairs:
  {"name": "RuS2", "cbm": -4.953644223729908, "phase": "H", "vbm": -4.953644223729908, "a": 3.3307819606332765, "dir_gap": 0, "xc": "LDA", "project": "c2dm", "ind_gap": 0}


unique_id: ae62813c1759c8adea1762aa52d831a1
username: fras
calculator: gpaw
calculator_parameters: "{}"
data: null
key_value_pairs:
  {"hform": 0.193, "name": "CuS2", "hform_fere": -0.013, "cbm": -4.4207403998109545, "phase": "H", "vbm": -4.4207403998109545, "a": 3.7426504288604883, "dir_gap": 0.0, "xc": "PBE", "project": "c2dm", "ind_gap": 0.0}


unique_id: f64af953476d88ac72804475979b866c
username: fras
calculator: gpaw
calculator_parameters: "{}"
data: null
key_value_pairs:
  {"name": "CuS2", "cbm": -4.617907780031393, "phase": "H", "vbm": -4.617907780031393, "a": 3.7426504288604883, "dir_gap": 0, "xc": "LDA", "project": "c2dm", "ind_gap": 0}


unique_id: abcce908d1c0058e68ebd4bae61b787b
username: fras
calculator: gpaw
calculator_parameters: "{}"
data: null
key_value_pairs:
  {"hform": -1.209, "name": "ScS2", "hform_fere": -1.457, "cbm": -5.666332528787104, "phase": "H", "vbm": -5.666332528787104, "a": 3.7870701932307873, "dir_gap": 0.0, "xc": "PBE", "project": "c2dm", "ind_gap": 0.0}


unique_id: dd8637b21bd73e9395210aa64130264e
username: fras
calculator: gpaw
calculator_parameters: "{}"
data: null
key_value_pairs:
  {"name": "ScS2", "cbm": -5.856662280373198, "phase": "H", "vbm": -5.856662280373198, "a": 3.7870701932307873, "dir_gap": 0, "xc": "LDA", "project": "c2dm", "ind_gap": 0}


unique_id: f1a73b0ed9f9a2f2bf7de752e4611808
username: fras
calculator: gpaw
calculator_parameters: "{}"
data: null
key_value_pairs:
  {"hform": 0.243, "name": "PbSe2", "hform_fere": 0.257, "cbm": -5.6230515014642295, "phase": "H", "vbm": -5.6230515014642295, "a": 4.348464205681247, "dir_gap": 0.0, "xc": "PBE", "project": "c2dm", "ind_gap": 0.0}


unique_id: ccf2c7323036a7b772fcaddf71d3fb3f
username: fras
calculator: gpaw
calculator_parameters: "{}"
data: null
key_value_pairs:
  {"name": "PbSe2", "cbm": -5.846673570776999, "phase": "H", "vbm": -5.846673570776999, "a": 4.348464205681247, "dir_gap": 0, "xc": "LDA", "project": "c2dm", "ind_gap": 0}


unique_id: ced6add85259ead0cbe08a6916a84549
username: fras
calculator: gpaw
calculator_parameters: "{}"
data: null
key_value_pairs:
  {"hform": 0.327, "name": "IrO2", "hform_fere": 0.076, "cbm": -6.434619427010377, "phase": "H", "vbm": -6.434619427010377, "a": 2.960441768447874, "dir_gap": 0.0, "xc": "PBE", "project": "c2dm", "ind_gap": 0.0}


unique_id: 69c5ddf4032cae5cb657813dc9cf8ecd
username: fras
calculator: gpaw
calculator_parameters: "{}"
data: null
key_value_pairs:
  {"name": "IrO2", "cbm": -6.760953926943801, "phase": "H", "vbm": -6.760953926943801, "a": 2.960441768447874, "dir_gap": 0, "xc": "LDA", "project": "c2dm", "ind_gap": 0}


unique_id: c1dcd25e72f088cfc91f1d7f4f706cd0
username: fras
calculator: gpaw
calculator_parameters: "{}"
data: null
key_value_pairs:
  {"hform": -1.554, "name": "ZrS2", "hform_fere": -1.474, "cbm": -5.270632682283923, "phase": "T", "vbm": -6.464408478943136, "a": 3.6800337821480236, "dir_gap": 1.6888969647236536, "xc": "PBE", "project": "c2dm", "ind_gap": 1.1937757966592146}


unique_id: bfd87875c86cfb64807a6ad68138ae52
username: fras
calculator: gpaw
calculator_parameters: "{}"
data: null
key_value_pairs:
  {"name": "ZrS2", "cbm": -6.3724298869927445, "phase": "T", "vbm": -8.097614127851205, "a": 3.6800337821480236, "dir_gap": 2.340869310543388, "xc": "GLLBSC", "project": "c2dm", "ind_gap": 1.7251842408584612}


unique_id: 4eb9c935b3949e9619ab6f0fe60316de
username: fras
calculator: gpaw
calculator_parameters: "{}"
key_value_pairs:
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username: fras
calculator: gpaw
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{"y": "qpbs_kn", "x": "xqpbs_k", "style": "o-r", "label": "$G_0W_0$"}, {"y": [-6.1489322466212615, -6.1489322466212615], "x": [0, 2.677309292356912], "style": "--k", "label": "$E_F$"}], "ylabel": "Energy relative to vacuum [eV]", "xlabel": [[0.0, 0.9799632147907686, 1.5457452406461498, 2.677309292356912], ["$\\Gamma$", "$M$", "$K$", "$\\Gamma$"]], "title": "Band structure"}}


