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"id": "mp-1222899",
"created_at": "2022-09-04T14:40:19.730593Z",
"structure_string": "La1 Ce1 B12\n1.0\n0.000000 4.139508 4.139508\n4.139508 0.000000 4.139508\n4.139508 4.139508 0.000000\nLa Ce B\n1 1 12\ndirect\n0.500000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Ce\n0.900352 0.599648 0.599648 B\n0.400352 0.099648 0.099648 B\n0.900352 0.900352 0.599648 B\n0.400352 0.400352 0.099648 B\n0.599648 0.900352 0.599648 B\n0.099648 0.400352 0.099648 B\n0.599648 0.599648 0.900352 B\n0.099648 0.099648 0.400352 B\n0.900352 0.599648 0.900352 B\n0.400352 0.099648 0.400352 B\n0.599648 0.900352 0.900352 B\n0.099648 0.400352 0.400352 B\n",
"nsites": 14,
"nelements": 3,
"elements": [
"La",
"Ce",
"B"
],
"chemical_system": "B-Ce-La",
"density": 4.784475946735723,
"density_atomic": 0.09868516265720612,
"volume": 141.8652979134316,
"volume_molar": 6.102377092814423,
"formula_full": "La1 Ce1 B12",
"formula_reduced": "LaCeB12",
"formula_anonymous": "ABC12",
"energy": -98.52333498,
"energy_per_atom": -7.03738107,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -98.52333498,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0314937,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.176000Z",
"spacegroup": 225
}
]
}