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{
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{
"id": "mp-1197767",
"created_at": "2022-09-04T14:43:08.557037Z",
"structure_string": "Lu2 Al2 B28\n1.0\n5.904368 0.000000 0.000000\n2.952184 -5.216761 4.097793\n2.952184 -5.216761 -4.097793\nLu Al B\n2 2 28\ndirect\n0.750000 0.596603 0.903397 Lu\n0.250000 0.403397 0.096603 Lu\n0.500000 0.000000 0.500000 Al\n0.000000 0.000000 0.500000 Al\n0.167621 0.798441 0.866317 B\n0.832379 0.201559 0.133683 B\n0.667621 0.366317 0.298441 B\n0.332379 0.633683 0.701559 B\n0.644868 0.978790 0.731474 B\n0.355132 0.021210 0.268526 B\n0.144868 0.231474 0.478790 B\n0.855132 0.768526 0.521210 B\n0.590372 0.241799 0.577457 B\n0.409628 0.758201 0.422543 B\n0.090372 0.077457 0.741799 B\n0.909628 0.922543 0.258201 B\n0.899532 0.775659 0.101110 B\n0.776301 0.224341 0.898890 B\n0.399532 0.601110 0.275659 B\n0.276301 0.398890 0.724341 B\n0.100468 0.224341 0.898890 B\n0.223699 0.775659 0.101110 B\n0.600468 0.398890 0.724341 B\n0.723699 0.601110 0.275659 B\n0.332703 0.371885 0.467804 B\n0.172392 0.628115 0.532196 B\n0.832703 0.967804 0.871885 B\n0.672392 0.032196 0.128115 B\n0.667297 0.628115 0.532196 B\n0.827608 0.371885 0.467804 B\n0.167297 0.032196 0.128115 B\n0.327608 0.967804 0.871885 B\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Lu",
"Al",
"B"
],
"chemical_system": "Al-B-Lu",
"density": 4.648057382033219,
"density_atomic": 0.12676390466143939,
"volume": 252.43779043778665,
"volume_molar": 4.750674709874167,
"formula_full": "Lu2 Al2 B28",
"formula_reduced": "LuAlB14",
"formula_anonymous": "ABC14",
"energy": -208.56659352,
"energy_per_atom": -6.5177060475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -208.56659352,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003523,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:57.701000Z",
"spacegroup": 74
}
]
}