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{
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"energy_per_atom": -6.273975360000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -83.81165504,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.1150861,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.592000Z",
"spacegroup": 227
},
{
"id": "mp-1045350",
"created_at": "2022-09-04T14:39:42.998808Z",
"structure_string": "Ti4 Zn2 S8\n1.0\n-3.534809 3.582221 4.953404\n3.534809 -3.582221 4.953404\n3.534809 3.582221 -4.953404\nTi Zn S\n4 2 8\ndirect\n0.000000 0.500000 0.500000 Ti\n0.000000 0.000000 0.500000 Ti\n0.500000 0.500000 0.000000 Ti\n0.000000 0.500000 0.000000 Ti\n0.500000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n0.749330 0.257508 0.008177 S\n0.244475 0.748945 0.495530 S\n0.749330 0.741153 0.491823 S\n0.246585 0.251055 0.995530 S\n0.250670 0.258847 0.508177 S\n0.755525 0.251055 0.504470 S\n0.753415 0.748945 0.004470 S\n0.250670 0.742492 0.991823 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ti",
"Zn",
"S"
],
"chemical_system": "S-Ti-Zn",
"density": 3.830893269132039,
"density_atomic": 0.05580151193268758,
"volume": 250.88925936071345,
"volume_molar": 10.792074536016885,
"formula_full": "Ti4 Zn2 S8",
"formula_reduced": "Ti2ZnS4",
"formula_anonymous": "AB2C4",
"energy": -86.07412075,
"energy_per_atom": -6.148151482142858,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -82.05012075,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2000462,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:28.756000Z",
"spacegroup": 74
}
]
}