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{
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{
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{
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{
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{
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"created_at": "2022-09-04T14:46:35.743475Z",
"structure_string": "V1 Zn1 O3\n1.0\n3.780363 0.000000 0.000000\n0.000000 3.780363 0.000000\n0.000000 0.000000 3.780363\nV Zn O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 V\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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{
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{
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"id": "mp-26384",
"created_at": "2022-09-04T14:46:21.786307Z",
"structure_string": "Ni8 P14 O48\n1.0\n10.348019 0.000000 0.000000\n-2.605281 10.072241 0.000000\n-3.406118 -4.918568 8.934441\nNi P O\n8 14 48\ndirect\n0.894576 0.503890 0.741376 Ni\n0.381543 0.999737 0.075892 Ni\n0.664328 0.508208 0.880593 Ni\n0.832153 0.983487 0.417675 Ni\n0.167847 0.016513 0.582325 Ni\n0.335672 0.491792 0.119407 Ni\n0.618457 0.000263 0.924108 Ni\n0.105424 0.496110 0.258624 Ni\n0.457999 0.243785 0.949732 P\n0.542001 0.756215 0.050268 P\n0.177586 0.727882 0.116316 P\n0.387829 0.253692 0.521048 P\n0.822414 0.272118 0.883684 P\n0.034505 0.260178 0.753555 P\n0.946687 0.201099 0.262808 P\n0.618966 0.192002 0.434627 P\n0.223102 0.233605 0.225114 P\n0.381034 0.807998 0.565373 P\n0.053313 0.798901 0.737192 P\n0.965495 0.739822 0.246445 P\n0.612171 0.746308 0.478952 P\n0.776898 0.766395 0.774886 P\n0.262963 0.121977 0.130010 O\n0.203905 0.866005 0.873376 O\n0.987109 0.627330 0.661935 O\n0.069058 0.643243 0.951157 O\n0.719521 0.357354 0.537939 O\n0.561962 0.647022 0.923140 O\n0.565665 0.147215 0.268909 O\n0.781405 0.634766 0.804942 O\n0.796095 0.133995 0.126624 O\n0.012891 0.372670 0.338065 O\n0.930942 0.356757 0.048843 O\n0.737037 0.878023 0.869990 O\n0.280479 0.642646 0.462061 O\n0.438038 0.352978 0.076860 O\n0.434335 0.852785 0.731091 O\n0.218595 0.365234 0.195058 O\n0.529012 0.848039 0.538673 O\n0.990466 0.624301 0.297708 O\n0.662976 0.688013 0.599200 O\n0.938222 0.856055 0.792859 O\n0.505846 0.609261 0.330771 O\n0.077094 0.864435 0.637820 O\n0.494191 0.123124 0.988802 O\n0.312348 0.916133 0.540891 O\n0.819268 0.652716 0.103334 O\n0.684479 0.140741 0.842827 O\n0.098907 0.807111 0.210940 O\n0.751997 0.846750 0.489834 O\n0.976866 0.879218 0.371824 O\n0.212347 0.616070 0.171178 O\n0.410182 0.642424 0.046767 O\n0.322359 0.155511 0.796824 O\n0.677641 0.844489 0.203176 O\n0.589818 0.357576 0.953233 O\n0.787653 0.383930 0.828822 O\n0.023134 0.120782 0.628176 O\n0.248003 0.153250 0.510166 O\n0.901093 0.192889 0.789060 O\n0.315521 0.859259 0.157173 O\n0.180732 0.347284 0.896666 O\n0.687652 0.083867 0.459109 O\n0.505809 0.876876 0.011198 O\n0.922906 0.135565 0.362180 O\n0.494154 0.390739 0.669229 O\n0.061778 0.143945 0.207141 O\n0.470988 0.151961 0.461327 O\n0.009534 0.375699 0.702292 O\n0.337024 0.311987 0.400800 O\n",
"nsites": 70,
"nelements": 3,
"elements": [
"Ni",
"P",
"O"
],
"chemical_system": "Ni-O-P",
"density": 2.979985129846554,
"density_atomic": 0.07517048090466937,
"volume": 931.21660467722,
"volume_molar": 8.011310673450703,
"formula_full": "Ni8 P14 O48",
"formula_reduced": "Ni4P7O24",
"formula_anonymous": "A4B7C24",
"energy": -506.04190215000006,
"energy_per_atom": -7.229170030714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -452.73790215,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 26.0008301,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:29.071000Z",
"spacegroup": 2
}
]
}