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"structure_string": "W4 O20\n1.0\n4.001546 0.000000 0.000000\n0.000000 8.108591 0.000000\n0.000000 4.836837 12.251719\nW O\n4 20\ndirect\n0.433763 0.830280 0.312826 W\n0.933763 0.169720 0.187174 W\n0.566237 0.169720 0.687174 W\n0.066237 0.830280 0.812826 W\n0.258143 0.573706 0.352905 O\n0.758143 0.426294 0.147095 O\n0.741857 0.426294 0.647095 O\n0.241857 0.573706 0.852905 O\n0.595530 0.569347 0.355636 O\n0.095530 0.430653 0.144364 O\n0.404470 0.430653 0.644364 O\n0.904470 0.569347 0.855636 O\n0.449811 0.816251 0.447852 O\n0.949811 0.183749 0.052148 O\n0.550189 0.183749 0.552148 O\n0.050189 0.816251 0.947852 O\n0.938705 0.905568 0.283099 O\n0.438705 0.094432 0.216901 O\n0.061295 0.094432 0.716901 O\n0.561295 0.905568 0.783099 O\n0.460988 0.770855 0.173679 O\n0.960988 0.229145 0.326321 O\n0.539012 0.229145 0.826321 O\n0.039012 0.770855 0.673679 O\n",
"nsites": 24,
"nelements": 2,
"elements": [
"W",
"O"
],
"chemical_system": "O-W",
"density": 4.408334619688763,
"density_atomic": 0.060372756526463886,
"volume": 397.5302997715502,
"volume_molar": 9.97493092328863,
"formula_full": "W4 O20",
"formula_reduced": "WO5",
"formula_anonymous": "AB5",
"energy": -166.76480456000002,
"energy_per_atom": -6.948533523333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -145.79280456,
"band_gap": 0.3213999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9988974,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:47.873000Z",
"spacegroup": 14
}
]
}