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{
"id": "mp-9538",
"created_at": "2022-09-04T14:48:08.636193Z",
"structure_string": "Ag6 As2 S8\n1.0\n6.689885 0.000000 0.000000\n0.000000 7.032463 0.000000\n0.000000 0.000000 7.954204\nAg As S\n6 2 8\ndirect\n0.988529 0.149157 0.500000 Ag\n0.012965 0.683558 0.240676 Ag\n0.512965 0.316442 0.259324 Ag\n0.488529 0.850843 0.000000 Ag\n0.512965 0.316442 0.740676 Ag\n0.012965 0.683558 0.759324 Ag\n0.497735 0.819521 0.500000 As\n0.997735 0.180479 0.000000 As\n0.390691 0.665281 0.729572 S\n0.890691 0.334719 0.770428 S\n0.890691 0.334719 0.229572 S\n0.390691 0.665281 0.270428 S\n0.329836 0.183527 0.000000 S\n0.874489 0.886544 0.000000 S\n0.829836 0.816473 0.500000 S\n0.374489 0.113456 0.500000 S\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ag",
"As",
"S"
],
"chemical_system": "Ag-As-S",
"density": 4.675097249640744,
"density_atomic": 0.04275600798009495,
"volume": 374.21641439137153,
"volume_molar": 14.084899513545809,
"formula_full": "Ag6 As2 S8",
"formula_reduced": "Ag3AsS4",
"formula_anonymous": "AB3C4",
"energy": -64.71104000999999,
"energy_per_atom": -4.044440000624999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -60.68704001,
"band_gap": 0.3576000000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001065,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:27.819000Z",
"spacegroup": 31
}
]
}