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"id": "mp-9027",
"created_at": "2022-09-04T14:41:36.840284Z",
"structure_string": "Ti4 S8\n1.0\n0.000000 4.909434 4.909434\n4.909434 0.000000 4.909434\n4.909434 4.909434 0.000000\nTi S\n4 8\ndirect\n0.125000 0.125000 0.625000 Ti\n0.125000 0.625000 0.125000 Ti\n0.625000 0.125000 0.125000 Ti\n0.125000 0.125000 0.125000 Ti\n0.372798 0.372798 0.372798 S\n0.368393 0.877202 0.877202 S\n0.877202 0.877202 0.368393 S\n0.877202 0.368393 0.877202 S\n0.877202 0.877202 0.877202 S\n0.881607 0.372798 0.372798 S\n0.372798 0.881607 0.372798 S\n0.372798 0.372798 0.881607 S\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ti",
"S"
],
"chemical_system": "S-Ti",
"density": 3.143338883630548,
"density_atomic": 0.05070572217152093,
"volume": 236.65968032972515,
"volume_molar": 11.876649226351734,
"formula_full": "Ti4 S8",
"formula_reduced": "TiS2",
"formula_anonymous": "AB2",
"energy": -83.72853265,
"energy_per_atom": -6.977377720833334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -79.70453265,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010241,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:26.092000Z",
"spacegroup": 227
}
]
}