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"id": "mp-1210158",
"created_at": "2022-09-04T14:43:35.941751Z",
"structure_string": "Ni4 W12 N4\n1.0\n0.000000 0.000000 5.253211\n6.174006 0.000000 0.000000\n0.000000 7.939797 0.000000\nNi W N\n4 12 4\ndirect\n0.059029 0.389557 0.250000 Ni\n0.940971 0.610443 0.750000 Ni\n0.559029 0.110443 0.750000 Ni\n0.440970 0.889557 0.250000 Ni\n0.352506 0.189156 0.048898 W\n0.647494 0.810844 0.951102 W\n0.852506 0.310844 0.951102 W\n0.647494 0.810844 0.548898 W\n0.147494 0.689156 0.048898 W\n0.352506 0.189156 0.451102 W\n0.147494 0.689156 0.451102 W\n0.852506 0.310844 0.548898 W\n0.618098 0.512451 0.250000 W\n0.381902 0.487549 0.750000 W\n0.118098 0.987549 0.750000 W\n0.881902 0.012451 0.250000 W\n0.000000 0.000000 0.000000 N\n0.500000 0.500000 0.000000 N\n0.000000 0.000000 0.500000 N\n0.500000 0.500000 0.500000 N\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ni",
"W",
"N"
],
"chemical_system": "N-Ni-W",
"density": 16.100729241321968,
"density_atomic": 0.07766560053368717,
"volume": 257.5142645208167,
"volume_molar": 7.753935743261161,
"formula_full": "Ni4 W12 N4",
"formula_reduced": "NiW3N",
"formula_anonymous": "ABC3",
"energy": -213.15369862,
"energy_per_atom": -10.657684931,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -211.70969862,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0065003,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:16.343000Z",
"spacegroup": 62
}
]
}