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{
"id": "mp-1102854",
"created_at": "2022-09-04T14:40:33.129380Z",
"structure_string": "Y4 Ni4 P4\n1.0\n1.953641 -3.383806 0.000000\n1.953641 3.383806 0.000000\n0.000000 0.000000 15.585290\nY Ni P\n4 4 4\ndirect\n0.000000 0.000000 0.500000 Y\n0.000000 0.000000 0.000000 Y\n0.000000 0.000000 0.250000 Y\n0.000000 0.000000 0.750000 Y\n0.333333 0.666667 0.372501 Ni\n0.666667 0.333333 0.627499 Ni\n0.666667 0.333333 0.872501 Ni\n0.333333 0.666667 0.127499 Ni\n0.333333 0.666667 0.877989 P\n0.666667 0.333333 0.122011 P\n0.666667 0.333333 0.377989 P\n0.333333 0.666667 0.622011 P\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Y",
"Ni",
"P"
],
"chemical_system": "Ni-P-Y",
"density": 5.756119641298744,
"density_atomic": 0.05823527699126385,
"volume": 206.06066666086565,
"volume_molar": 10.341052831093101,
"formula_full": "Y4 Ni4 P4",
"formula_reduced": "YNiP",
"formula_anonymous": "ABC",
"energy": -85.28345684,
"energy_per_atom": -7.106954736666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -85.28345684,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0098604,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:03.288000Z",
"spacegroup": 194
}
]
}