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{
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{
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{
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{
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{
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{
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{
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"id": "mp-1187788",
"created_at": "2022-09-04T14:43:59.513100Z",
"structure_string": "Y3 Si1\n1.0\n4.668333 0.000000 0.000000\n0.000000 4.668333 0.000000\n0.000000 0.000000 4.668333\nY Si\n3 1\ndirect\n0.000000 0.500000 0.500000 Y\n0.500000 0.000000 0.500000 Y\n0.500000 0.500000 0.000000 Y\n0.000000 0.000000 0.000000 Si\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Y",
"Si"
],
"chemical_system": "Si-Y",
"density": 4.811667265513925,
"density_atomic": 0.039316469179301664,
"volume": 101.73853561870246,
"volume_molar": 15.317094555302498,
"formula_full": "Y3 Si1",
"formula_reduced": "Y3Si",
"formula_anonymous": "AB3",
"energy": -25.701873,
"energy_per_atom": -6.42546825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.772873,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0498307,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:08.591000Z",
"spacegroup": 221
}
]
}