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{
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{
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{
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{
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"id": "mp-3520",
"created_at": "2022-09-04T14:45:57.971837Z",
"structure_string": "Y8 Si4 O20\n1.0\n3.417693 7.282169 0.000000\n-3.417693 7.282169 0.000000\n0.000000 5.614958 8.939901\nY Si O\n8 4 20\ndirect\n0.781253 0.292665 0.032402 Y\n0.707335 0.218747 0.467598 Y\n0.218747 0.707335 0.967598 Y\n0.292665 0.781253 0.532402 Y\n0.239312 0.475407 0.337488 Y\n0.524593 0.760688 0.162512 Y\n0.760688 0.524593 0.662512 Y\n0.475407 0.239312 0.837488 Y\n0.728118 0.908332 0.305678 Si\n0.091668 0.271882 0.194322 Si\n0.271882 0.091668 0.694322 Si\n0.908332 0.728118 0.805678 Si\n0.422872 0.610458 0.104224 O\n0.389542 0.577128 0.395776 O\n0.577128 0.389542 0.895776 O\n0.610458 0.422872 0.604224 O\n0.871811 0.725827 0.431958 O\n0.274173 0.128189 0.068042 O\n0.128189 0.274173 0.568042 O\n0.725827 0.871811 0.931958 O\n0.554943 0.850995 0.323694 O\n0.149005 0.445057 0.176306 O\n0.445057 0.149005 0.676306 O\n0.850995 0.554943 0.823694 O\n0.162948 0.595854 0.824225 O\n0.404146 0.837052 0.675775 O\n0.837052 0.404146 0.175775 O\n0.595854 0.162948 0.324225 O\n0.918441 0.900155 0.637565 O\n0.099845 0.081559 0.862435 O\n0.081559 0.099845 0.362435 O\n0.900155 0.918441 0.137565 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Y",
"Si",
"O"
],
"chemical_system": "O-Si-Y",
"density": 4.267346675771198,
"density_atomic": 0.07191069245082442,
"volume": 444.99641026100477,
"volume_molar": 8.374471938395246,
"formula_full": "Y8 Si4 O20",
"formula_reduced": "Y2SiO5",
"formula_anonymous": "AB2C5",
"energy": -293.73070731,
"energy_per_atom": -9.1790846034375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -279.99070731,
"band_gap": 4.7661,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0004086,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:08.221000Z",
"spacegroup": 15
}
]
}