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"structure_string": "V7 S8\n1.0\n3.195038 5.534926 0.000000\n-3.195038 5.534926 0.000000\n0.000000 5.531672 6.024093\nV S\n7 8\ndirect\n0.750887 0.249113 0.500000 V\n0.249113 0.750887 0.500000 V\n0.747414 0.747414 0.505517 V\n0.252586 0.252586 0.494483 V\n0.000000 0.500000 0.000000 V\n0.500000 0.000000 0.000000 V\n0.000000 0.000000 0.000000 V\n0.048130 0.540948 0.246398 S\n0.540948 0.048130 0.246398 S\n0.040359 0.040359 0.252497 S\n0.541594 0.541594 0.244654 S\n0.458406 0.458406 0.755346 S\n0.959641 0.959641 0.747503 S\n0.459052 0.951870 0.753602 S\n0.951870 0.459052 0.753602 S\n",
"nsites": 15,
"nelements": 2,
"elements": [
"V",
"S"
],
"chemical_system": "S-V",
"density": 4.778354221725124,
"density_atomic": 0.07040147347251423,
"volume": 213.06372239291585,
"volume_molar": 8.553998180664689,
"formula_full": "V7 S8",
"formula_reduced": "V7S8",
"formula_anonymous": "A7B8",
"energy": -114.27510715,
"energy_per_atom": -7.618340476666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -110.25110715,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9014629,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:27.089000Z",
"spacegroup": 12
}
]
}