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{
"id": "mp-850742",
"created_at": "2022-09-04T14:44:22.011524Z",
"structure_string": "Li2 V6 O2 F22\n1.0\n5.240353 0.000000 0.000000\n0.000000 5.411808 0.000000\n0.000000 2.688695 15.142784\nLi V O F\n2 6 2 22\ndirect\n0.210040 0.966875 0.229915 Li\n0.789960 0.466875 0.229915 Li\n0.718608 0.851671 0.340198 V\n0.249391 0.001321 0.996813 V\n0.250199 0.666590 0.666800 V\n0.281392 0.351671 0.340198 V\n0.750609 0.501321 0.996813 V\n0.749801 0.166590 0.666800 V\n0.452114 0.645550 0.309221 O\n0.547886 0.145550 0.309221 O\n0.443576 0.980694 0.643336 F\n0.556180 0.814217 0.975905 F\n0.944506 0.851747 0.690622 F\n0.335091 0.957822 0.114946 F\n0.336991 0.625027 0.779706 F\n0.671454 0.779232 0.454865 F\n0.166642 0.704175 0.554158 F\n0.840460 0.539281 0.884455 F\n0.856691 0.849026 0.224453 F\n0.556424 0.480694 0.643336 F\n0.443820 0.314217 0.975905 F\n0.952872 0.518717 0.355827 F\n0.053300 0.687167 0.023899 F\n0.055494 0.351747 0.690622 F\n0.664909 0.457822 0.114946 F\n0.663009 0.125027 0.779706 F\n0.328546 0.279232 0.454865 F\n0.833358 0.204175 0.554158 F\n0.159540 0.039281 0.884455 F\n0.143309 0.349026 0.224453 F\n0.047128 0.018717 0.355827 F\n0.946700 0.187167 0.023899 F\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 2.975404825306865,
"density_atomic": 0.07451459196351395,
"volume": 429.44608776316977,
"volume_molar": 8.081827466691006,
"formula_full": "Li2 V6 O2 F22",
"formula_reduced": "LiV3OF11",
"formula_anonymous": "ABC3D11",
"energy": -204.95395405,
"energy_per_atom": -6.4048110640625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -183.21595405,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0037245,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:38.175000Z",
"spacegroup": 7
}
]
}