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{
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"id": "mp-1209791",
"created_at": "2022-09-04T14:44:18.008537Z",
"structure_string": "Ni2 P16 W2\n1.0\n3.119057 -5.402365 0.000000\n3.119057 5.402365 0.000000\n0.000000 0.000000 8.772498\nNi P W\n2 16 2\ndirect\n0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.666667 0.333333 0.536552 P\n0.333333 0.666667 0.463448 P\n0.666667 0.333333 0.963448 P\n0.333333 0.666667 0.036552 P\n0.724105 0.044450 0.653181 P\n0.275895 0.955550 0.346819 P\n0.955550 0.679655 0.653181 P\n0.724105 0.679655 0.846819 P\n0.044450 0.320345 0.346819 P\n0.275895 0.320345 0.153181 P\n0.320345 0.275895 0.653181 P\n0.955550 0.275895 0.846819 P\n0.679655 0.724105 0.346819 P\n0.044450 0.724105 0.153181 P\n0.320345 0.044450 0.846819 P\n0.679655 0.955550 0.153181 P\n0.333333 0.666667 0.750000 W\n0.666667 0.333333 0.250000 W\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ni",
"P",
"W"
],
"chemical_system": "Ni-P-W",
"density": 5.508093323929263,
"density_atomic": 0.06765026273058984,
"volume": 295.6381718670913,
"volume_molar": 8.901873425063478,
"formula_full": "Ni2 P16 W2",
"formula_reduced": "NiP8W",
"formula_anonymous": "ABC8",
"energy": -128.75843303,
"energy_per_atom": -6.4379216515,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -128.75843303,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001165,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:26.495000Z",
"spacegroup": 163
}
]
}