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{
"id": "mp-558621",
"created_at": "2022-09-04T14:41:55.167861Z",
"structure_string": "Ce4 B12 O24\n1.0\n11.810067 0.000000 0.000000\n0.000000 4.262689 0.000000\n0.000000 0.172914 7.305995\nCe B O\n4 12 24\ndirect\n0.879664 0.213785 0.619490 Ce\n0.379664 0.786215 0.880510 Ce\n0.120336 0.786215 0.380510 Ce\n0.620336 0.213785 0.119490 Ce\n0.905942 0.193905 0.126026 B\n0.878430 0.688253 0.925924 B\n0.166607 0.324912 0.711626 B\n0.833393 0.675088 0.288374 B\n0.121570 0.311747 0.074076 B\n0.405942 0.806095 0.373974 B\n0.094058 0.806095 0.873974 B\n0.333393 0.324912 0.211626 B\n0.594058 0.193905 0.626026 B\n0.378430 0.311747 0.574076 B\n0.621570 0.688253 0.425924 B\n0.666607 0.675088 0.788374 B\n0.909413 0.747406 0.438550 O\n0.119444 0.651397 0.048273 O\n0.619444 0.348603 0.451727 O\n0.873158 0.845398 0.110294 O\n0.409413 0.252594 0.061450 O\n0.215479 0.219653 0.193940 O\n0.784521 0.780347 0.806060 O\n0.284521 0.219653 0.693940 O\n0.626842 0.845398 0.610294 O\n0.373158 0.154602 0.389706 O\n0.126842 0.154602 0.889706 O\n0.090587 0.252594 0.561450 O\n0.380556 0.651397 0.548273 O\n0.880556 0.348603 0.951727 O\n0.976177 0.795520 0.816923 O\n0.331327 0.669060 0.236204 O\n0.590587 0.747406 0.938550 O\n0.715479 0.780347 0.306060 O\n0.668673 0.330940 0.763796 O\n0.476177 0.204480 0.683077 O\n0.023823 0.204480 0.183077 O\n0.831327 0.330940 0.263796 O\n0.168673 0.669060 0.736204 O\n0.523823 0.795520 0.316923 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Ce",
"B",
"O"
],
"chemical_system": "B-Ce-O",
"density": 4.849661495194159,
"density_atomic": 0.10875384263705144,
"volume": 367.8030957811174,
"volume_molar": 5.537405036894128,
"formula_full": "Ce4 B12 O24",
"formula_reduced": "Ce(BO2)3",
"formula_anonymous": "AB3C6",
"energy": -348.89712103,
"energy_per_atom": -8.72242802575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -332.40912103,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.2032329,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:39.942000Z",
"spacegroup": 14
}
]
}