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"structure_string": "U4 S8\n1.0\n4.054937 0.000000 0.000000\n0.000000 7.026058 0.000000\n0.000000 0.000000 8.457767\nU S\n4 8\ndirect\n0.250000 0.749718 0.122105 U\n0.750000 0.250282 0.877895 U\n0.250000 0.249718 0.377895 U\n0.750000 0.750282 0.622105 U\n0.250000 0.029549 0.666098 S\n0.750000 0.970451 0.333902 S\n0.250000 0.529549 0.833902 S\n0.750000 0.470451 0.166098 S\n0.250000 0.640051 0.430015 S\n0.750000 0.359949 0.569985 S\n0.250000 0.140051 0.069985 S\n0.750000 0.859949 0.930015 S\n",
"nsites": 12,
"nelements": 2,
"elements": [
"U",
"S"
],
"chemical_system": "S-U",
"density": 8.329001408022885,
"density_atomic": 0.04980003954212604,
"volume": 240.9636640920567,
"volume_molar": 12.092642526731026,
"formula_full": "U4 S8",
"formula_reduced": "US2",
"formula_anonymous": "AB2",
"energy": -98.6847194,
"energy_per_atom": -8.223726616666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -94.6607194,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9996581,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:30.547000Z",
"spacegroup": 62
}
]
}