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{
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{
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{
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"id": "mp-1028698",
"created_at": "2022-09-04T14:42:56.130022Z",
"structure_string": "W4 Se8\n1.0\n1.663535 -2.881326 0.000000\n1.663535 2.881326 0.000000\n0.000000 0.000000 40.137901\nW Se\n4 8\ndirect\n0.666667 0.333333 0.906142 W\n0.666667 0.333333 0.281573 W\n0.333333 0.666667 0.718427 W\n0.333333 0.666667 0.093858 W\n0.333333 0.666667 0.948029 Se\n0.333333 0.666667 0.323458 Se\n0.666667 0.333333 0.760315 Se\n0.666667 0.333333 0.135744 Se\n0.333333 0.666667 0.864256 Se\n0.333333 0.666667 0.239685 Se\n0.666667 0.333333 0.676542 Se\n0.666667 0.333333 0.051971 Se\n",
"nsites": 12,
"nelements": 2,
"elements": [
"W",
"Se"
],
"chemical_system": "Se-W",
"density": 5.899583141015699,
"density_atomic": 0.031186903188902063,
"volume": 384.77690225652896,
"volume_molar": 19.309838888213157,
"formula_full": "W4 Se8",
"formula_reduced": "WSe2",
"formula_anonymous": "AB2",
"energy": -90.2644638,
"energy_per_atom": -7.52203865,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -86.4884638,
"band_gap": 2.0995,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 1.63e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:53.948000Z",
"spacegroup": 164
}
]
}