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"id": "mp-1113230",
"created_at": "2022-09-04T14:42:06.985864Z",
"structure_string": "Cs2 Pr1 Ag1 F6\n1.0\n0.000000 4.804842 4.804842\n4.804842 0.000000 4.804842\n4.804842 4.804842 0.000000\nCs Pr Ag F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Ag\n0.739808 0.260192 0.260192 F\n0.260192 0.260192 0.739808 F\n0.260192 0.739808 0.739808 F\n0.260192 0.739808 0.260192 F\n0.739808 0.260192 0.739808 F\n0.739808 0.739808 0.260192 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Pr",
"Ag",
"F"
],
"chemical_system": "Ag-Cs-F-Pr",
"density": 4.704791414287996,
"density_atomic": 0.045074681948517145,
"volume": 221.8540335220042,
"volume_molar": 13.360362180432677,
"formula_full": "Cs2 Pr1 Ag1 F6",
"formula_reduced": "Cs2PrAgF6",
"formula_anonymous": "ABC2D6",
"energy": -52.3807994,
"energy_per_atom": -5.23807994,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -49.6087994,
"band_gap": 3.2577,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.73e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:31.749000Z",
"spacegroup": 225
}
]
}