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"structure_string": "V4 S8\n1.0\n0.000000 4.688340 4.688340\n4.688340 0.000000 4.688340\n4.688340 4.688340 0.000000\nV S\n4 8\ndirect\n0.625000 0.625000 0.125000 V\n0.625000 0.125000 0.625000 V\n0.125000 0.625000 0.625000 V\n0.625000 0.625000 0.625000 V\n0.876715 0.876715 0.876715 S\n0.880146 0.373285 0.373285 S\n0.373285 0.373285 0.880146 S\n0.373285 0.880146 0.373285 S\n0.373285 0.373285 0.373285 S\n0.369854 0.876715 0.876715 S\n0.876715 0.369854 0.876715 S\n0.876715 0.876715 0.369854 S\n",
"nsites": 12,
"nelements": 2,
"elements": [
"V",
"S"
],
"chemical_system": "S-V",
"density": 3.708425591551651,
"density_atomic": 0.058222915973185366,
"volume": 206.1044143774354,
"volume_molar": 10.343248288652365,
"formula_full": "V4 S8",
"formula_reduced": "VS2",
"formula_anonymous": "AB2",
"energy": -82.78841007,
"energy_per_atom": -6.8990341724999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -78.76441007,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0579124,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:34.706000Z",
"spacegroup": 227
}
]
}