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{
"id": "mp-1194271",
"created_at": "2022-09-04T14:40:27.776819Z",
"structure_string": "Zr6 Ni23\n1.0\n0.000000 5.713521 5.713521\n5.713521 0.000000 5.713521\n5.713521 5.713521 0.000000\nZr Ni\n6 23\ndirect\n0.712867 0.712867 0.287133 Zr\n0.287133 0.712867 0.287133 Zr\n0.712867 0.287133 0.287133 Zr\n0.287133 0.287133 0.712867 Zr\n0.712867 0.287133 0.712867 Zr\n0.287133 0.712867 0.712867 Zr\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.500000 0.000000 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n0.000000 0.500000 0.000000 Ni\n0.500000 0.000000 0.000000 Ni\n0.880042 0.880042 0.359873 Ni\n0.880042 0.359873 0.880042 Ni\n0.359873 0.880042 0.880042 Ni\n0.880042 0.880042 0.880042 Ni\n0.119958 0.119958 0.640127 Ni\n0.119958 0.640127 0.119958 Ni\n0.640127 0.119958 0.119958 Ni\n0.119958 0.119958 0.119958 Ni\n0.671356 0.671356 0.985931 Ni\n0.671356 0.985931 0.671356 Ni\n0.985931 0.671356 0.671356 Ni\n0.671356 0.671356 0.671356 Ni\n0.328644 0.328644 0.014069 Ni\n0.328644 0.014069 0.328644 Ni\n0.014069 0.328644 0.328644 Ni\n0.328644 0.328644 0.328644 Ni\n",
"nsites": 29,
"nelements": 2,
"elements": [
"Zr",
"Ni"
],
"chemical_system": "Ni-Zr",
"density": 8.445820346561218,
"density_atomic": 0.07774214485090765,
"volume": 373.02804104023147,
"volume_molar": 7.746301277832175,
"formula_full": "Zr6 Ni23",
"formula_reduced": "Zr6Ni23",
"formula_anonymous": "A6B23",
"energy": -194.53253066,
"energy_per_atom": -6.708018298620689,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -194.53253066,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011315,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:02.594000Z",
"spacegroup": 225
}
]
}