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"id": "mp-1211242",
"created_at": "2022-09-04T14:43:06.003350Z",
"structure_string": "Li4 Bi4 F8\n1.0\n-4.075807 4.075807 3.807242\n4.075807 -4.075807 3.807242\n4.075807 4.075807 -3.807242\nLi Bi F\n4 4 8\ndirect\n0.125000 0.375000 0.250000 Li\n0.125000 0.875000 0.750000 Li\n0.625000 0.875000 0.750000 Li\n0.125000 0.875000 0.250000 Li\n0.625000 0.875000 0.250000 Bi\n0.625000 0.375000 0.750000 Bi\n0.125000 0.375000 0.750000 Bi\n0.625000 0.375000 0.250000 Bi\n0.326768 0.745795 0.769695 F\n0.976100 0.557073 0.230305 F\n0.995795 0.726100 0.919027 F\n0.923232 0.004205 0.730305 F\n0.807073 0.076768 0.080973 F\n0.273900 0.192927 0.269695 F\n0.254205 0.023900 0.580973 F\n0.442927 0.673232 0.419027 F\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Bi",
"F"
],
"chemical_system": "Bi-F-Li",
"density": 6.666612843603074,
"density_atomic": 0.06324443058995334,
"volume": 252.98670334683462,
"volume_molar": 9.522009612268757,
"formula_full": "Li4 Bi4 F8",
"formula_reduced": "LiBiF2",
"formula_anonymous": "ABC2",
"energy": -73.50648584,
"energy_per_atom": -4.594155365,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -69.81048584,
"band_gap": 0.3064,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0008144,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:59.178000Z",
"spacegroup": 88
}
]
}