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{
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{
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{
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"created_at": "2022-09-04T14:39:07.648087Z",
"structure_string": "Li1 Y2 Ga1\n1.0\n0.000000 3.612243 3.612243\n3.612243 0.000000 3.612243\n3.612243 3.612243 0.000000\nLi Y Ga\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.250000 0.250000 0.250000 Y\n0.750000 0.750000 0.750000 Y\n0.500000 0.500000 0.500000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Y",
"Ga"
],
"chemical_system": "Ga-Li-Y",
"density": 4.482647048532662,
"density_atomic": 0.042432548982855624,
"volume": 94.26725699689061,
"volume_molar": 14.192267267359254,
"formula_full": "Li1 Y2 Ga1",
"formula_reduced": "LiY2Ga",
"formula_anonymous": "ABC2",
"energy": -19.25989631,
"energy_per_atom": -4.8149740775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.25989631,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002179,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.233000Z",
"spacegroup": 225
}
]
}