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{
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{
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"id": "mp-1046767",
"created_at": "2022-09-04T14:47:26.240217Z",
"structure_string": "Sr4 Ga2 W4 O14\n1.0\n-5.562334 0.000000 0.000000\n-0.001531 -5.713199 0.000000\n2.777891 2.843127 11.399793\nSr Ga W O\n4 2 4 14\ndirect\n0.844733 0.826523 0.694857 Sr\n0.151542 0.174302 0.305261 Sr\n0.346319 0.368772 0.694771 Sr\n0.650430 0.631835 0.304855 Sr\n0.708852 0.174682 0.500168 Ga\n0.210885 0.823844 0.499660 Ga\n0.568955 0.063067 0.128399 W\n0.938072 0.434533 0.871079 W\n0.065601 0.564090 0.124777 W\n0.441304 0.939581 0.875518 W\n0.673026 0.687975 0.861478 O\n0.368085 0.122262 0.499502 O\n0.176527 0.678622 0.851343 O\n0.200341 0.626474 0.354162 O\n0.836426 0.832581 0.159976 O\n0.322108 0.812539 0.148066 O\n0.868870 0.880165 0.500282 O\n0.323846 0.319981 0.148347 O\n0.827747 0.331825 0.138677 O\n0.696501 0.221463 0.350945 O\n0.843844 0.368600 0.649884 O\n0.348066 0.768734 0.644229 O\n0.673054 0.170485 0.839949 O\n0.188228 0.167274 0.850427 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Sr",
"Ga",
"W",
"O"
],
"chemical_system": "Ga-O-Sr-W",
"density": 6.64304657152703,
"density_atomic": 0.06624877642675966,
"volume": 362.2708417344558,
"volume_molar": 9.090191675702398,
"formula_full": "Sr4 Ga2 W4 O14",
"formula_reduced": "Sr2GaW2O7",
"formula_anonymous": "AB2C2D7",
"energy": -189.05156106,
"energy_per_atom": -7.8771483775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -161.68156106,
"band_gap": 0.8884000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.000288,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:09.071000Z",
"spacegroup": 1
}
]
}