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"id": "mp-543051",
"created_at": "2022-09-04T14:44:49.910169Z",
"structure_string": "Lu20 Sb12\n1.0\n7.945541 0.000000 0.000000\n0.000000 9.163779 0.000000\n0.000000 0.000000 11.593785\nLu Sb\n20 12\ndirect\n0.194380 0.561899 0.439338 Lu\n0.694380 0.938101 0.060662 Lu\n0.805620 0.061899 0.560662 Lu\n0.305620 0.438101 0.939338 Lu\n0.805620 0.438101 0.560662 Lu\n0.305620 0.061899 0.939338 Lu\n0.194380 0.938101 0.439338 Lu\n0.694380 0.561899 0.060662 Lu\n0.027161 0.750000 0.990321 Lu\n0.527161 0.750000 0.509679 Lu\n0.972839 0.250000 0.009679 Lu\n0.472839 0.250000 0.490321 Lu\n0.186399 0.750000 0.719026 Lu\n0.686399 0.750000 0.780974 Lu\n0.813601 0.250000 0.280974 Lu\n0.313601 0.250000 0.219026 Lu\n0.855265 0.750000 0.284953 Lu\n0.355265 0.750000 0.215047 Lu\n0.144735 0.250000 0.715047 Lu\n0.644735 0.250000 0.784953 Lu\n0.933760 0.496956 0.826403 Sb\n0.433760 0.003044 0.673597 Sb\n0.066240 0.996956 0.173597 Sb\n0.566240 0.503044 0.326403 Sb\n0.066240 0.503044 0.173597 Sb\n0.566240 0.996956 0.326403 Sb\n0.933760 0.003044 0.826403 Sb\n0.433760 0.496956 0.673597 Sb\n0.910274 0.750000 0.541133 Sb\n0.410274 0.750000 0.958867 Sb\n0.089726 0.250000 0.458867 Sb\n0.589726 0.250000 0.041133 Sb\n",
"nsites": 32,
"nelements": 2,
"elements": [
"Lu",
"Sb"
],
"chemical_system": "Lu-Sb",
"density": 9.757705965177584,
"density_atomic": 0.037907632009804286,
"volume": 844.1571869148577,
"volume_molar": 15.88635438489657,
"formula_full": "Lu20 Sb12",
"formula_reduced": "Lu5Sb3",
"formula_anonymous": "A3B5",
"energy": -168.49316557,
"energy_per_atom": -5.2654114240625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -166.18916557,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0037684,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:41.043000Z",
"spacegroup": 62
}
]
}