# systems

unique_id: f6a3fbb5a5eb0c0b875826288232c0ff
username: fras
calculator: gpaw
calculator_parameters: "{}"
data: null
key_value_pairs:
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unique_id: de92df62f5b1ab9fb22b074d51bbd43f
username: fras
calculator: gpaw
calculator_parameters: "{}"
data: null
key_value_pairs:
  {"name": "HgTe2", "cbm": -5.181443225166253, "phase": "H", "vbm": -5.181443225166253, "a": 3.5950965241828294, "dir_gap": 0, "xc": "LDA", "project": "c2dm", "ind_gap": 0}


unique_id: 3ccfbda0c10a6359059dd5fc4084f758
username: fras
calculator: gpaw
calculator_parameters: "{}"
data: null
key_value_pairs:
  {"hform": -0.838, "name": "ZrTe2", "hform_fere": -0.845, "cbm": -4.858025430154585, "phase": "T", "vbm": -4.858025430154585, "a": 3.9658047094793853, "dir_gap": 0.0, "xc": "PBE", "project": "c2dm", "ind_gap": 0.0}


unique_id: d9ac53f478f0dc4d40ebe4c26ca95ae1
username: fras
calculator: gpaw
calculator_parameters: "{}"
data: null
key_value_pairs:
  {"name": "ZrTe2", "cbm": -5.117574800406853, "phase": "T", "vbm": -5.117574800406853, "a": 3.9658047094793853, "dir_gap": 0, "xc": "LDA", "project": "c2dm", "ind_gap": 0}


unique_id: 28e74196d4ffeac20d18e39935bee03f
username: fras
calculator: gpaw
calculator_parameters: "{}"
data: null
key_value_pairs:
  {"hform": -0.024, "name": "PtTe2", "hform_fere": 0.066, "cbm": -4.063458214110305, "phase": "H", "vbm": -4.063458214110305, "a": 3.907135405103175, "dir_gap": 0.0, "xc": "PBE", "project": "c2dm", "ind_gap": 0.0}


unique_id: 10d8be9a40ed3145b559a8c04a74ba2a
username: fras
calculator: gpaw
calculator_parameters: "{}"
data: null
key_value_pairs:
  {"name": "PtTe2", "cbm": -4.373926638296604, "phase": "H", "vbm": -4.373926638296604, "a": 3.907135405103175, "dir_gap": 0, "xc": "LDA", "project": "c2dm", "ind_gap": 0}


unique_id: bd5e3d1abdad969d4188314a594917d4
username: fras
calculator: gpaw
calculator_parameters: "{}"
data: null
key_value_pairs:
  {"hform": -3.181, "name": "ZrO2", "hform_fere": -3.486, "cbm": -3.3656366403743587, "phase": "T", "vbm": -7.837332893122418, "a": 3.2645806256587777, "dir_gap": 4.731313040488093, "xc": "PBE", "project": "c2dm", "ind_gap": 4.471696252748059}


unique_id: 71c5a5fb66990e6a1875652e5e727d07
username: fras
calculator: gpaw
calculator_parameters: "{}"
data: null
key_value_pairs:
  {"name": "ZrO2", "cbm": -4.619735228190876, "phase": "T", "vbm": -10.56084750934368, "a": 3.2645806256587777, "dir_gap": 6.0575558596909005, "xc": "GLLBSC", "project": "c2dm", "ind_gap": 5.941112281152805}


unique_id: 3ba7b09fcd92f9a7696517173e6b03da
username: fras
calculator: gpaw
calculator_parameters: "{}"
key_value_pairs:
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calculator: gpaw
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