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{
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{
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{
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{
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{
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{
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{
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{
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{
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{
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{
"id": "mp-1229202",
"created_at": "2022-09-04T14:44:12.422921Z",
"structure_string": "Ag2 Bi6 Pb2 S12\n1.0\n2.060103 -6.863690 0.000000\n2.060103 6.863690 0.000000\n0.000000 0.000000 20.000883\nAg Bi Pb S\n2 6 2 12\ndirect\n0.060839 0.939161 0.140160 Ag\n0.939161 0.060839 0.640160 Ag\n0.369806 0.630194 0.456657 Bi\n0.644141 0.355859 0.554766 Bi\n0.355859 0.644141 0.054766 Bi\n0.630194 0.369806 0.956657 Bi\n0.900182 0.099818 0.858824 Bi\n0.099818 0.900182 0.358824 Bi\n0.823424 0.176576 0.243212 Pb\n0.176576 0.823424 0.743212 Pb\n0.984095 0.015905 0.506898 S\n0.015905 0.984095 0.006898 S\n0.738275 0.261725 0.405097 S\n0.260860 0.739140 0.589695 S\n0.739140 0.260860 0.089695 S\n0.261725 0.738275 0.905097 S\n0.175167 0.824833 0.240237 S\n0.824833 0.175167 0.740237 S\n0.464169 0.535831 0.336730 S\n0.556108 0.443892 0.667722 S\n0.443892 0.556108 0.167722 S\n0.535831 0.464169 0.836730 S\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Ag",
"Bi",
"Pb",
"S"
],
"chemical_system": "Ag-Bi-Pb-S",
"density": 6.660691535393362,
"density_atomic": 0.038895281678424,
"volume": 565.6213054809639,
"volume_molar": 15.482959629369656,
"formula_full": "Ag2 Bi6 Pb2 S12",
"formula_reduced": "AgBi3PbS6",
"formula_anonymous": "ABC3D6",
"energy": -99.27398702,
"energy_per_atom": -4.5124539554545455,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -93.23798702,
"band_gap": 0.3102999999999998,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0002456,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:29.370000Z",
"spacegroup": 36
}
]
}