# systems

unique_id: 264881398a102009c51fef91e7a7b1bf
username: fras
calculator: gpaw
calculator_parameters: "{}"
data: null
key_value_pairs:
  {"hform": -0.364, "name": "PtSe2", "hform_fere": -0.397, "cbm": -4.369054536564962, "phase": "T", "vbm": -5.720958210923264, "a": 3.7458155759547567, "dir_gap": 1.495429990151917, "xc": "PBE", "project": "c2dm", "ind_gap": 1.3519036743583026}


unique_id: 1f502726441c0f6389d521ff5745223d
username: fras
calculator: gpaw
calculator_parameters: "{}"
data: null
key_value_pairs:
  {"name": "PtSe2", "cbm": -5.4189378441581475, "phase": "T", "vbm": -6.764762643245895, "a": 3.7458155759547567, "dir_gap": 1.570316996329327, "xc": "GLLBSC", "project": "c2dm", "ind_gap": 1.345824799087747}


unique_id: dbd4bf061ea782054d785ee400e8fee9
username: fras
calculator: gpaw
calculator_parameters: "{}"
key_value_pairs:
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data:
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1.6875735023135605, 2.922963047514041], ["$\\Gamma$", "$M$", "$K$", "$\\Gamma$"]], "title": "Band structure"}}


