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"id": "mp-1102845",
"created_at": "2022-09-04T14:46:22.622058Z",
"structure_string": "Ti4 S8\n1.0\n6.006551 0.000000 0.000000\n0.000000 6.006551 0.000000\n0.000000 0.000000 6.006551\nTi S\n4 8\ndirect\n0.500000 0.500000 0.000000 Ti\n0.500000 0.000000 0.500000 Ti\n0.000000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.141959 0.858041 0.358041 S\n0.858041 0.358041 0.141959 S\n0.358041 0.141959 0.858041 S\n0.641959 0.641959 0.641959 S\n0.858041 0.141959 0.641959 S\n0.141959 0.641959 0.858041 S\n0.641959 0.858041 0.141959 S\n0.358041 0.358041 0.358041 S\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ti",
"S"
],
"chemical_system": "S-Ti",
"density": 3.4327325783417333,
"density_atomic": 0.055373979978094734,
"volume": 216.7082807619581,
"volume_molar": 10.875398088384264,
"formula_full": "Ti4 S8",
"formula_reduced": "TiS2",
"formula_anonymous": "AB2",
"energy": -80.11886867,
"energy_per_atom": -6.676572389166666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -76.09486867,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006359,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:34.266000Z",
"spacegroup": 205
}
]
}