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"id": "mp-1195477",
"created_at": "2022-09-04T14:42:46.780420Z",
"structure_string": "Yb6 Si22 Pt46\n1.0\n0.000000 8.506239 8.506239\n8.506239 0.000000 8.506239\n8.506239 8.506239 0.000000\nYb Si Pt\n6 22 46\ndirect\n0.000000 0.000000 0.500000 Yb\n0.500000 0.000000 0.500000 Yb\n0.000000 0.500000 0.500000 Yb\n0.500000 0.500000 0.000000 Yb\n0.000000 0.500000 0.000000 Yb\n0.500000 0.000000 0.000000 Yb\n0.828188 0.828188 0.171812 Si\n0.171812 0.828188 0.171812 Si\n0.828188 0.171812 0.171812 Si\n0.171812 0.171812 0.828188 Si\n0.828188 0.171812 0.828188 Si\n0.171812 0.828188 0.828188 Si\n0.835278 0.835278 0.494166 Si\n0.835278 0.494166 0.835278 Si\n0.494166 0.835278 0.835278 Si\n0.835278 0.835278 0.835278 Si\n0.164722 0.164722 0.505834 Si\n0.164722 0.505834 0.164722 Si\n0.505834 0.164722 0.164722 Si\n0.164722 0.164722 0.164722 Si\n0.606826 0.606826 0.179521 Si\n0.606826 0.179521 0.606826 Si\n0.179521 0.606826 0.606826 Si\n0.606826 0.606826 0.606826 Si\n0.393174 0.393174 0.820479 Si\n0.393174 0.820479 0.393174 Si\n0.820479 0.393174 0.393174 Si\n0.393174 0.393174 0.393174 Si\n0.917228 0.917228 0.248316 Pt\n0.917228 0.248316 0.917228 Pt\n0.248316 0.917228 0.917228 Pt\n0.917228 0.917228 0.917228 Pt\n0.082772 0.082772 0.751684 Pt\n0.082772 0.751684 0.082772 Pt\n0.751684 0.082772 0.082772 Pt\n0.082772 0.082772 0.082772 Pt\n0.692376 0.692376 0.922873 Pt\n0.692376 0.922873 0.692376 Pt\n0.922873 0.692376 0.692376 Pt\n0.692376 0.692376 0.692376 Pt\n0.307624 0.307624 0.077127 Pt\n0.307624 0.077127 0.307624 Pt\n0.077127 0.307624 0.307624 Pt\n0.307624 0.307624 0.307624 Pt\n0.624515 0.624515 0.375485 Pt\n0.375485 0.624515 0.375485 Pt\n0.624515 0.375485 0.375485 Pt\n0.375485 0.375485 0.624515 Pt\n0.624515 0.375485 0.624515 Pt\n0.375485 0.624515 0.624515 Pt\n0.747224 0.082827 0.422725 Pt\n0.747224 0.747224 0.422725 Pt\n0.082827 0.747224 0.422725 Pt\n0.747224 0.422725 0.082827 Pt\n0.082827 0.422725 0.747224 Pt\n0.747224 0.422725 0.747224 Pt\n0.422725 0.747224 0.747224 Pt\n0.422725 0.082827 0.747224 Pt\n0.422725 0.747224 0.082827 Pt\n0.082827 0.747224 0.747224 Pt\n0.747224 0.747224 0.082827 Pt\n0.747224 0.082827 0.747224 Pt\n0.252776 0.917173 0.577275 Pt\n0.252776 0.252776 0.577275 Pt\n0.917173 0.252776 0.577275 Pt\n0.252776 0.577275 0.917173 Pt\n0.917173 0.577275 0.252776 Pt\n0.252776 0.577275 0.252776 Pt\n0.577275 0.252776 0.252776 Pt\n0.577275 0.917173 0.252776 Pt\n0.577275 0.252776 0.917173 Pt\n0.917173 0.252776 0.252776 Pt\n0.252776 0.252776 0.917173 Pt\n0.252776 0.917173 0.252776 Pt\n",
"nsites": 74,
"nelements": 3,
"elements": [
"Yb",
"Si",
"Pt"
],
"chemical_system": "Pt-Si-Yb",
"density": 14.339665169508278,
"density_atomic": 0.060115848496116536,
"volume": 1230.9565921668789,
"volume_molar": 10.017559280376835,
"formula_full": "Yb6 Si22 Pt46",
"formula_reduced": "Yb3Si11Pt23",
"formula_anonymous": "A3B11C23",
"energy": -472.2338515,
"energy_per_atom": -6.381538533783784,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -472.2338515,
"band_gap": 0.0384999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0023583,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:48.304000Z",
"spacegroup": 225
}
]
}