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{
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{
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{
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{
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{
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{
"id": "mp-757992",
"created_at": "2022-09-04T14:45:14.349738Z",
"structure_string": "Li12 P8 W4 O32\n1.0\n18.534545 0.000000 0.000000\n0.000000 5.062520 0.000000\n0.000000 4.834851 6.358589\nLi P W O\n12 8 4 32\ndirect\n0.701147 0.383720 0.811412 Li\n0.880279 0.720050 0.502704 Li\n0.049756 0.977948 0.289290 Li\n0.380279 0.279950 0.997296 Li\n0.549756 0.022052 0.210710 Li\n0.201147 0.616280 0.688588 Li\n0.798853 0.383720 0.311412 Li\n0.450244 0.977948 0.789290 Li\n0.619721 0.720050 0.002704 Li\n0.950244 0.022052 0.710710 Li\n0.119721 0.279950 0.497296 Li\n0.298853 0.616280 0.188588 Li\n0.714871 0.889113 0.291238 P\n0.534985 0.488097 0.731401 P\n0.034985 0.511903 0.768599 P\n0.214871 0.110887 0.208762 P\n0.785129 0.889113 0.791238 P\n0.965015 0.488097 0.231401 P\n0.465015 0.511903 0.268599 P\n0.285129 0.110887 0.708762 P\n0.873699 0.181759 0.016824 W\n0.373699 0.818241 0.483176 W\n0.626301 0.181759 0.516824 W\n0.126301 0.818241 0.983176 W\n0.201468 0.825603 0.188732 O\n0.690485 0.553243 0.498924 O\n0.443925 0.819559 0.262711 O\n0.674638 0.960623 0.100740 O\n0.062421 0.185954 0.975712 O\n0.066425 0.554313 0.577216 O\n0.798549 0.846343 0.274848 O\n0.450008 0.482840 0.737052 O\n0.950008 0.517160 0.762948 O\n0.298549 0.153657 0.225152 O\n0.566425 0.445687 0.922784 O\n0.562421 0.814046 0.524288 O\n0.174638 0.039377 0.399260 O\n0.943925 0.180441 0.237289 O\n0.190485 0.446757 0.001076 O\n0.701468 0.174397 0.311268 O\n0.298532 0.825603 0.688732 O\n0.809515 0.553243 0.998924 O\n0.056075 0.819559 0.762711 O\n0.825362 0.960623 0.600740 O\n0.437579 0.185954 0.475712 O\n0.433575 0.554313 0.077216 O\n0.701451 0.846343 0.774848 O\n0.049992 0.482840 0.237052 O\n0.549992 0.517160 0.262948 O\n0.201451 0.153657 0.725152 O\n0.933575 0.445687 0.422784 O\n0.937579 0.814046 0.024288 O\n0.325362 0.039377 0.899260 O\n0.556075 0.180441 0.737289 O\n0.309515 0.446757 0.501076 O\n0.798532 0.174397 0.811268 O\n",
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"formula_full": "Li12 P8 W4 O32",
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{
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{
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{
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{
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{
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"id": "mp-771232",
"created_at": "2022-09-04T14:45:13.435610Z",
"structure_string": "Li5 Mn2 Ni5 O12\n1.0\n4.422886 2.502311 0.000000\n-4.422886 2.502311 0.000000\n0.000000 1.790961 9.504644\nLi Mn Ni O\n5 2 5 12\ndirect\n0.834986 0.667141 0.258000 Li\n0.670165 0.836902 0.740683 Li\n0.332859 0.165014 0.742000 Li\n0.163098 0.329835 0.259317 Li\n0.084329 0.915671 0.500000 Li\n0.747053 0.252947 0.500000 Mn\n0.251310 0.748690 0.000000 Mn\n0.919834 0.080166 0.000000 Ni\n0.004385 0.511287 0.743416 Ni\n0.488713 0.995615 0.256584 Ni\n0.582995 0.417005 0.000000 Ni\n0.416911 0.583089 0.500000 Ni\n0.026481 0.223020 0.619942 O\n0.776980 0.973519 0.380058 O\n0.885934 0.386178 0.115655 O\n0.613822 0.114066 0.884345 O\n0.710214 0.522210 0.619342 O\n0.477790 0.289786 0.380658 O\n0.523745 0.708910 0.118217 O\n0.291090 0.476255 0.881783 O\n0.395897 0.891247 0.618294 O\n0.108753 0.604103 0.381706 O\n0.212214 0.019558 0.119505 O\n0.980442 0.787786 0.880495 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Ni",
"O"
],
"chemical_system": "Li-Mn-Ni-O",
"density": 4.972845341989812,
"density_atomic": 0.11407707066449768,
"volume": 210.38408384963134,
"volume_molar": 5.279010694192177,
"formula_full": "Li5 Mn2 Ni5 O12",
"formula_reduced": "Li5Mn2Ni5O12",
"formula_anonymous": "A2B5C5D12",
"energy": -157.42212206,
"energy_per_atom": -6.559255085833333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -133.13712206,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.9990598,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:58.526000Z",
"spacegroup": 5
}
]
}