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{
"id": "mp-31451",
"created_at": "2022-09-04T14:47:34.231615Z",
"structure_string": "Zr1 Co1 Bi1\n1.0\n0.000000 3.118434 3.118434\n3.118434 0.000000 3.118434\n3.118434 3.118434 0.000000\nZr Co Bi\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 Co\n0.500000 0.500000 0.500000 Bi\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Zr",
"Co",
"Bi"
],
"chemical_system": "Bi-Co-Zr",
"density": 9.83264367851283,
"density_atomic": 0.04946312927394143,
"volume": 60.65123747802355,
"volume_molar": 12.17500964536151,
"formula_full": "Zr1 Co1 Bi1",
"formula_reduced": "ZrCoBi",
"formula_anonymous": "ABC",
"energy": -20.80899668,
"energy_per_atom": -6.936332226666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.80899668,
"band_gap": 0.9771999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.74e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:09.406000Z",
"spacegroup": 216
}
]
}