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"id": "mp-1210682",
"created_at": "2022-09-04T14:41:46.692671Z",
"structure_string": "Na12 Li12 Rh8 F48\n1.0\n-6.337795 6.337795 6.337795\n6.337795 -6.337795 6.337795\n6.337795 6.337795 -6.337795\nNa Li Rh F\n12 12 8 48\ndirect\n0.250000 0.375000 0.125000 Na\n0.750000 0.625000 0.875000 Na\n0.750000 0.125000 0.375000 Na\n0.125000 0.250000 0.375000 Na\n0.375000 0.750000 0.125000 Na\n0.250000 0.875000 0.625000 Na\n0.875000 0.750000 0.625000 Na\n0.625000 0.250000 0.875000 Na\n0.375000 0.125000 0.250000 Na\n0.625000 0.875000 0.750000 Na\n0.125000 0.375000 0.750000 Na\n0.875000 0.625000 0.250000 Na\n0.250000 0.625000 0.375000 Li\n0.750000 0.375000 0.625000 Li\n0.750000 0.875000 0.125000 Li\n0.375000 0.250000 0.625000 Li\n0.625000 0.750000 0.375000 Li\n0.250000 0.125000 0.875000 Li\n0.125000 0.750000 0.875000 Li\n0.875000 0.250000 0.125000 Li\n0.625000 0.375000 0.250000 Li\n0.375000 0.625000 0.750000 Li\n0.875000 0.125000 0.750000 Li\n0.125000 0.875000 0.250000 Li\n0.000000 0.000000 0.000000 Rh\n0.500000 0.000000 0.500000 Rh\n0.000000 0.500000 0.500000 Rh\n0.500000 0.000000 0.000000 Rh\n0.500000 0.500000 0.000000 Rh\n0.500000 0.500000 0.500000 Rh\n0.000000 0.000000 0.500000 Rh\n0.000000 0.500000 0.000000 Rh\n0.479098 0.380629 0.302039 F\n0.520902 0.619371 0.697961 F\n0.578590 0.177059 0.197961 F\n0.921410 0.119371 0.598469 F\n0.302039 0.479098 0.380629 F\n0.322941 0.921410 0.302039 F\n0.421410 0.822941 0.802039 F\n0.078590 0.880629 0.401531 F\n0.697961 0.520902 0.619371 F\n0.677059 0.078590 0.697961 F\n0.020902 0.322941 0.901531 F\n0.197961 0.578590 0.177059 F\n0.119371 0.020902 0.197961 F\n0.979098 0.677059 0.098469 F\n0.802039 0.421410 0.822941 F\n0.880629 0.979098 0.802039 F\n0.598469 0.921410 0.119371 F\n0.177059 0.479098 0.598469 F\n0.401531 0.078590 0.880629 F\n0.822941 0.520902 0.401531 F\n0.901531 0.020902 0.322941 F\n0.380629 0.578590 0.901531 F\n0.098469 0.979098 0.677059 F\n0.619371 0.421410 0.098469 F\n0.380629 0.302039 0.479098 F\n0.578590 0.901531 0.380629 F\n0.619371 0.697961 0.520902 F\n0.421410 0.098469 0.619371 F\n0.119371 0.598469 0.921410 F\n0.020902 0.197961 0.119371 F\n0.880629 0.401531 0.078590 F\n0.979098 0.802039 0.880629 F\n0.322941 0.901531 0.020902 F\n0.921410 0.302039 0.322941 F\n0.677059 0.098469 0.979098 F\n0.078590 0.697961 0.677059 F\n0.177059 0.197961 0.578590 F\n0.479098 0.598469 0.177059 F\n0.822941 0.802039 0.421410 F\n0.520902 0.401531 0.822941 F\n0.302039 0.322941 0.921410 F\n0.697961 0.677059 0.078590 F\n0.197961 0.119371 0.020902 F\n0.802039 0.880629 0.979098 F\n0.901531 0.380629 0.578590 F\n0.098469 0.619371 0.421410 F\n0.598469 0.177059 0.479098 F\n0.401531 0.822941 0.520902 F\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Na",
"Li",
"Rh",
"F"
],
"chemical_system": "F-Li-Na-Rh",
"density": 3.415238383070748,
"density_atomic": 0.07856252496035995,
"volume": 1018.2972102839789,
"volume_molar": 7.665411419806801,
"formula_full": "Na12 Li12 Rh8 F48",
"formula_reduced": "Na3Li3Rh2F12",
"formula_anonymous": "A2B3C3D12",
"energy": -401.71499189,
"energy_per_atom": -5.021437398625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -379.53899189,
"band_gap": 1.9933,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0770614,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:26.216000Z",
"spacegroup": 230
}
]
}