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{
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"structure_string": "V8 Zn12 Si12 O48\n1.0\n-5.952123 5.952123 5.952123\n5.952123 -5.952123 5.952123\n5.952123 5.952123 -5.952123\nV Zn Si O\n8 12 12 48\ndirect\n0.500000 0.000000 0.000000 V\n0.500000 0.500000 0.000000 V\n0.000000 0.500000 0.500000 V\n0.000000 0.000000 0.500000 V\n0.500000 0.500000 0.500000 V\n0.000000 0.500000 0.000000 V\n0.500000 0.000000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.250000 0.375000 0.125000 Zn\n0.750000 0.125000 0.375000 Zn\n0.375000 0.125000 0.250000 Zn\n0.125000 0.375000 0.750000 Zn\n0.250000 0.875000 0.625000 Zn\n0.125000 0.250000 0.375000 Zn\n0.625000 0.250000 0.875000 Zn\n0.750000 0.625000 0.875000 Zn\n0.875000 0.750000 0.625000 Zn\n0.875000 0.625000 0.250000 Zn\n0.625000 0.875000 0.750000 Zn\n0.375000 0.750000 0.125000 Zn\n0.125000 0.750000 0.875000 Si\n0.875000 0.250000 0.125000 Si\n0.750000 0.375000 0.625000 Si\n0.125000 0.875000 0.250000 Si\n0.250000 0.125000 0.875000 Si\n0.375000 0.625000 0.750000 Si\n0.375000 0.250000 0.625000 Si\n0.875000 0.125000 0.750000 Si\n0.625000 0.375000 0.250000 Si\n0.750000 0.875000 0.125000 Si\n0.250000 0.625000 0.375000 Si\n0.625000 0.750000 0.375000 Si\n0.585853 0.893810 0.376356 O\n0.376356 0.585853 0.893810 O\n0.290503 0.307957 0.914147 O\n0.482546 0.606190 0.192043 O\n0.307957 0.893810 0.017454 O\n0.123644 0.017454 0.209497 O\n0.376356 0.290503 0.482546 O\n0.893810 0.376356 0.585853 O\n0.192043 0.209497 0.585853 O\n0.482546 0.376356 0.290503 O\n0.893810 0.017454 0.307957 O\n0.606190 0.914147 0.123644 O\n0.914147 0.123644 0.606190 O\n0.290503 0.482546 0.376356 O\n0.585853 0.192043 0.209497 O\n0.209497 0.585853 0.192043 O\n0.017454 0.307957 0.893810 O\n0.914147 0.290503 0.307957 O\n0.017454 0.209497 0.123644 O\n0.807957 0.790503 0.414147 O\n0.192043 0.482546 0.606190 O\n0.606190 0.192043 0.482546 O\n0.209497 0.123644 0.017454 O\n0.123644 0.606190 0.914147 O\n0.414147 0.106190 0.623644 O\n0.623644 0.414147 0.106190 O\n0.709497 0.692043 0.085853 O\n0.517454 0.393810 0.807957 O\n0.692043 0.106190 0.982546 O\n0.876356 0.982546 0.790503 O\n0.623644 0.709497 0.517454 O\n0.106190 0.623644 0.414147 O\n0.876356 0.393810 0.085853 O\n0.790503 0.876356 0.982546 O\n0.393810 0.807957 0.517454 O\n0.692043 0.085853 0.709497 O\n0.807957 0.517454 0.393810 O\n0.982546 0.790503 0.876356 O\n0.085853 0.709497 0.692043 O\n0.982546 0.692043 0.106190 O\n0.790503 0.414147 0.807957 O\n0.414147 0.807957 0.790503 O\n0.709497 0.517454 0.623644 O\n0.085853 0.876356 0.393810 O\n0.393810 0.085853 0.876356 O\n0.106190 0.982546 0.692043 O\n0.517454 0.623644 0.709497 O\n0.307957 0.914147 0.290503 O\n",
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{
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"band_gap": 0.6284000000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0005591,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:43.121000Z",
"spacegroup": 15
},
{
"id": "mp-1043760",
"created_at": "2022-09-04T14:39:49.724935Z",
"structure_string": "Si16 W4 O40\n1.0\n7.607006 0.000000 0.000000\n0.000000 7.607006 0.000000\n0.000000 0.000000 16.325724\nSi W O\n16 4 40\ndirect\n0.175454 0.266348 0.655104 Si\n0.824546 0.733652 0.655104 Si\n0.266348 0.175454 0.844896 Si\n0.766348 0.324546 0.655104 Si\n0.233652 0.675454 0.655104 Si\n0.324546 0.766348 0.844896 Si\n0.675454 0.233652 0.844896 Si\n0.733652 0.824546 0.844896 Si\n0.324546 0.233652 0.344896 Si\n0.675454 0.766348 0.344896 Si\n0.233652 0.324546 0.155104 Si\n0.733652 0.175454 0.344896 Si\n0.266348 0.824546 0.344896 Si\n0.175454 0.733652 0.155104 Si\n0.824546 0.266348 0.155104 Si\n0.766348 0.675454 0.155104 Si\n0.500000 0.000000 0.585984 W\n0.000000 0.500000 0.914016 W\n0.000000 0.500000 0.414016 W\n0.500000 0.000000 0.085984 W\n0.279310 0.130371 0.595837 O\n0.720690 0.869629 0.595837 O\n0.130371 0.279310 0.904163 O\n0.630371 0.220690 0.595837 O\n0.369629 0.779310 0.595837 O\n0.220690 0.630371 0.904163 O\n0.779310 0.369629 0.904163 O\n0.869629 0.720690 0.904163 O\n0.220690 0.369629 0.404163 O\n0.779310 0.630371 0.404163 O\n0.369629 0.220690 0.095837 O\n0.869629 0.279310 0.404163 O\n0.130371 0.720690 0.404163 O\n0.279310 0.869629 0.095837 O\n0.720690 0.130371 0.095837 O\n0.254959 0.034497 0.362773 O\n0.630371 0.779310 0.095837 O\n0.754959 0.534497 0.637227 O\n0.465503 0.245041 0.862773 O\n0.965503 0.254959 0.637227 O\n0.034497 0.745041 0.637227 O\n0.254959 0.965503 0.862773 O\n0.745041 0.034497 0.862773 O\n0.534497 0.754959 0.862773 O\n0.713537 0.713537 0.250000 O\n0.786463 0.213537 0.250000 O\n0.213537 0.786463 0.250000 O\n0.286463 0.286463 0.250000 O\n0.786463 0.786463 0.750000 O\n0.713537 0.286463 0.750000 O\n0.286463 0.713537 0.750000 O\n0.213537 0.213537 0.750000 O\n0.965503 0.745041 0.137227 O\n0.754959 0.465503 0.137227 O\n0.245041 0.534497 0.137227 O\n0.465503 0.754959 0.362773 O\n0.534497 0.245041 0.362773 O\n0.034497 0.254959 0.137227 O\n0.745041 0.965503 0.362773 O\n0.245041 0.465503 0.637227 O\n",
"nsites": 60,
"nelements": 3,
"elements": [
"Si",
"W",
"O"
],
"chemical_system": "O-Si-W",
"density": 3.2073145454038103,
"density_atomic": 0.06351134099785599,
"volume": 944.7131655120535,
"volume_molar": 9.481992767564606,
"formula_full": "Si16 W4 O40",
"formula_reduced": "Si4WO10",
"formula_anonymous": "AB4C10",
"energy": -505.74482948,
"energy_per_atom": -8.429080491333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -460.51282948,
"band_gap": 3.5973000000000006,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0986751,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:37.015000Z",
"spacegroup": 130
}
]
}