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"id": "mp-1187543",
"created_at": "2022-09-04T14:46:29.763421Z",
"structure_string": "Tl2 S6\n1.0\n3.858097 -6.682420 0.000000\n3.858097 6.682420 0.000000\n0.000000 0.000000 3.533384\nTl S\n2 6\ndirect\n0.333333 0.666667 0.750000 Tl\n0.666667 0.333333 0.250000 Tl\n0.135564 0.271129 0.250000 S\n0.728871 0.864436 0.250000 S\n0.135564 0.864436 0.250000 S\n0.864436 0.728871 0.750000 S\n0.271129 0.135564 0.750000 S\n0.864436 0.135564 0.750000 S\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Tl",
"S"
],
"chemical_system": "S-Tl",
"density": 5.479096791112355,
"density_atomic": 0.0439098792230119,
"volume": 182.19134603785088,
"volume_molar": 13.71477413867258,
"formula_full": "Tl2 S6",
"formula_reduced": "TlS3",
"formula_anonymous": "AB3",
"energy": -29.26656768,
"energy_per_atom": -3.65832096,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.24856768,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002105,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:31.755000Z",
"spacegroup": 194
}
]
}