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"id": "mp-1004753",
"created_at": "2022-09-04T14:39:21.547305Z",
"structure_string": "Pr1 B12\n1.0\n0.000000 3.797647 3.797647\n3.797647 0.000000 3.797647\n3.797647 3.797647 0.000000\nPr B\n1 12\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.163441 0.500000 B\n0.500000 0.836559 0.500000 B\n0.836559 0.500000 0.500000 B\n0.500000 0.836559 0.163441 B\n0.163441 0.500000 0.836559 B\n0.836559 0.500000 0.163441 B\n0.500000 0.500000 0.836559 B\n0.163441 0.836559 0.500000 B\n0.500000 0.163441 0.836559 B\n0.500000 0.500000 0.163441 B\n0.836559 0.163441 0.500000 B\n0.163441 0.500000 0.500000 B\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Pr",
"B"
],
"chemical_system": "B-Pr",
"density": 4.10267149636539,
"density_atomic": 0.11867782428479155,
"volume": 109.54026228862992,
"volume_molar": 5.074360602995764,
"formula_full": "Pr1 B12",
"formula_reduced": "PrB12",
"formula_anonymous": "AB12",
"energy": -87.4110682,
"energy_per_atom": -6.723928323076923,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -87.4110682,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000629,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.267000Z",
"spacegroup": 225
}
]
}