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"id": "mp-554267",
"created_at": "2022-09-04T14:41:19.465298Z",
"structure_string": "Si16 O32\n1.0\n-3.928388 3.928388 13.792584\n3.928388 -3.928388 13.792584\n3.928388 3.928388 -13.792584\nSi O\n16 32\ndirect\n0.885345 0.181870 0.703475 Si\n0.818130 0.114655 0.296525 Si\n0.931870 0.135345 0.203475 Si\n0.271605 0.068130 0.203475 Si\n0.692416 0.692416 0.384832 Si\n0.442416 0.557584 0.500000 Si\n0.818130 0.521605 0.703475 Si\n0.307584 0.307584 0.615168 Si\n0.307584 0.692416 0.000000 Si\n0.864655 0.068130 0.796525 Si\n0.057584 0.557584 0.115168 Si\n0.692416 0.307584 0.000000 Si\n0.478395 0.181870 0.296525 Si\n0.057584 0.942416 0.500000 Si\n0.442416 0.942416 0.884832 Si\n0.931870 0.728395 0.796525 Si\n0.964930 0.013160 0.390975 O\n0.622185 0.573955 0.609025 O\n0.785070 0.676045 0.548230 O\n0.271717 0.987008 0.715290 O\n0.478283 0.693573 0.215290 O\n0.127815 0.676045 0.890975 O\n0.810555 0.310555 0.500000 O\n0.763160 0.214930 0.890975 O\n0.060555 0.060555 0.000000 O\n0.689445 0.189445 0.500000 O\n0.763160 0.872185 0.548230 O\n0.785070 0.236840 0.109025 O\n0.964930 0.573955 0.951770 O\n0.271717 0.556427 0.284710 O\n0.986840 0.035070 0.609025 O\n0.443573 0.728283 0.715290 O\n0.012992 0.728283 0.284710 O\n0.426045 0.035070 0.048230 O\n0.323955 0.872185 0.109025 O\n0.306427 0.521717 0.784710 O\n0.875000 0.125000 0.250000 O\n0.478283 0.262992 0.784710 O\n0.127815 0.236840 0.451770 O\n0.622185 0.013160 0.048230 O\n0.737008 0.521717 0.215290 O\n0.939445 0.939445 0.000000 O\n0.323955 0.214930 0.451770 O\n0.875000 0.125000 0.750000 O\n0.426045 0.377815 0.390975 O\n0.875000 0.625000 0.750000 O\n0.375000 0.125000 0.250000 O\n0.986840 0.377815 0.951770 O\n",
"nsites": 48,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 1.8749759678102724,
"density_atomic": 0.05637763544056972,
"volume": 851.401440037318,
"volume_molar": 10.681790239940476,
"formula_full": "Si16 O32",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy": -401.17740953,
"energy_per_atom": -8.357862698541666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -379.19340953,
"band_gap": 5.6122000000000005,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:16.956000Z",
"spacegroup": 141
}
]
}