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"structure_string": "U12 S20\n1.0\n7.307577 0.000000 0.000000\n0.000000 7.828956 0.000000\n0.000000 0.000000 11.563307\nU S\n12 20\ndirect\n0.920837 0.750000 0.492896 U\n0.420837 0.250000 0.007104 U\n0.079163 0.250000 0.507104 U\n0.579163 0.750000 0.992896 U\n0.478281 0.998023 0.320395 U\n0.978281 0.001977 0.179605 U\n0.521719 0.498023 0.679605 U\n0.021719 0.501977 0.820395 U\n0.521719 0.001977 0.679605 U\n0.021719 0.998023 0.820395 U\n0.478281 0.501977 0.320395 U\n0.978281 0.498023 0.179605 U\n0.170112 0.750000 0.312688 S\n0.670112 0.250000 0.187312 S\n0.829888 0.250000 0.687312 S\n0.329888 0.750000 0.812688 S\n0.535379 0.750000 0.499866 S\n0.035379 0.250000 0.000134 S\n0.464621 0.250000 0.500134 S\n0.964621 0.750000 0.999866 S\n0.797037 0.750000 0.718456 S\n0.297037 0.250000 0.781544 S\n0.202963 0.250000 0.281544 S\n0.702963 0.750000 0.218456 S\n0.168751 0.547998 0.597923 S\n0.668751 0.452002 0.902077 S\n0.831249 0.047998 0.402077 S\n0.331249 0.952002 0.097923 S\n0.831249 0.452002 0.402077 S\n0.331249 0.547998 0.097923 S\n0.168751 0.952002 0.597923 S\n0.668751 0.047998 0.902077 S\n",
"nsites": 32,
"nelements": 2,
"elements": [
"U",
"S"
],
"chemical_system": "S-U",
"density": 8.779418571493734,
"density_atomic": 0.048371624151715746,
"volume": 661.544873904445,
"volume_molar": 12.449738592840685,
"formula_full": "U12 S20",
"formula_reduced": "U3S5",
"formula_anonymous": "A3B5",
"energy": -274.42988280000003,
"energy_per_atom": -8.575933837500001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -264.3698828,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 31.7403011,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:39.711000Z",
"spacegroup": 62
}
]
}