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{
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{
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"id": "mp-645124",
"created_at": "2022-09-04T14:40:16.348352Z",
"structure_string": "Zn4 W4 O16\n1.0\n3.613791 -6.788178 0.000000\n3.613791 6.788178 0.000000\n0.000000 0.000000 5.319422\nZn W O\n4 4 16\ndirect\n0.422892 0.077108 0.750000 Zn\n0.922892 0.577108 0.750000 Zn\n0.077108 0.422892 0.250000 Zn\n0.577108 0.922892 0.250000 Zn\n0.407502 0.592498 0.804130 W\n0.907502 0.092498 0.695870 W\n0.092498 0.907502 0.304130 W\n0.592498 0.407502 0.195870 W\n0.089665 0.410335 0.750000 O\n0.808544 0.191456 0.440857 O\n0.405519 0.594481 0.457597 O\n0.161774 0.161774 0.500000 O\n0.094481 0.905519 0.957597 O\n0.308544 0.691456 0.059143 O\n0.589665 0.910335 0.750000 O\n0.191456 0.808544 0.559143 O\n0.661774 0.661774 0.000000 O\n0.838226 0.838226 0.500000 O\n0.338226 0.338226 0.000000 O\n0.594481 0.405519 0.542403 O\n0.691456 0.308544 0.940857 O\n0.905519 0.094481 0.042403 O\n0.410335 0.089665 0.250000 O\n0.910335 0.589665 0.250000 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Zn",
"W",
"O"
],
"chemical_system": "O-W-Zn",
"density": 7.9723206888875735,
"density_atomic": 0.09196033550997683,
"volume": 260.9820839267841,
"volume_molar": 6.548628521855114,
"formula_full": "Zn4 W4 O16",
"formula_reduced": "ZnWO4",
"formula_anonymous": "ABC4",
"energy": -176.856553,
"energy_per_atom": -7.369023041666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -148.112553,
"band_gap": 2.1359,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001999,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:56.101000Z",
"spacegroup": 64
}
]
}