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{
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{
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{
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{
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{
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"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -110.70439314,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.1083543,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:09.328000Z",
"spacegroup": 38
},
{
"id": "mp-759047",
"created_at": "2022-09-04T14:47:23.446841Z",
"structure_string": "Li12 Cr3 P6 O24 F6\n1.0\n6.470766 0.000000 0.000000\n0.025905 10.017122 0.000000\n0.016977 4.995388 8.737184\nLi Cr P O F\n12 3 6 24 6\ndirect\n0.572270 0.999858 0.000995 Li\n0.738305 0.139931 0.181608 Li\n0.736380 0.676693 0.143759 Li\n0.070483 0.328792 0.341061 Li\n0.505070 0.327377 0.342388 Li\n0.483760 0.831914 0.340169 Li\n0.735463 0.181259 0.672013 Li\n0.492715 0.340165 0.821812 Li\n0.443931 0.669788 0.661772 Li\n0.052204 0.669087 0.660686 Li\n0.261496 0.477993 0.997987 Li\n0.494292 0.834452 0.830371 Li\n0.999366 0.832199 0.333299 Cr\n0.994356 0.331721 0.830314 Cr\n0.996968 0.835065 0.833727 Cr\n0.252071 0.145064 0.152777 P\n0.251239 0.703745 0.139644 P\n0.731105 0.532688 0.508439 P\n0.255539 0.153629 0.698242 P\n0.733091 0.957775 0.533523 P\n0.731035 0.508079 0.963354 P\n0.450628 0.056459 0.163367 O\n0.058569 0.039676 0.189926 O\n0.737220 0.387363 0.132786 O\n0.255729 0.234119 0.238791 O\n0.054689 0.777086 0.037544 O\n0.449563 0.785001 0.054056 O\n0.253986 0.530500 0.199028 O\n0.737381 0.127666 0.487074 O\n0.737326 0.480961 0.389654 O\n0.216905 0.747685 0.268194 O\n0.257634 0.248474 0.525445 O\n0.921227 0.640322 0.491566 O\n0.538374 0.620167 0.508270 O\n0.770721 0.934140 0.392311 O\n0.451906 0.163744 0.778128 O\n0.058387 0.192431 0.765265 O\n0.765716 0.393238 0.675369 O\n0.541464 0.869874 0.621144 O\n0.922704 0.865632 0.642211 O\n0.216431 0.268658 0.977431 O\n0.920992 0.488777 0.874295 O\n0.531120 0.505087 0.882375 O\n0.219788 0.977252 0.756517 O\n0.765637 0.674931 0.935873 O\n0.774880 0.830886 0.205029 F\n0.209368 0.823828 0.472761 F\n0.204924 0.475362 0.704734 F\n0.773823 0.202398 0.963146 F\n0.207308 0.693737 0.833339 F\n0.774856 0.966891 0.829507 F\n",
"nsites": 51,
"nelements": 5,
"elements": [
"Li",
"Cr",
"P",
"O",
"F"
],
"chemical_system": "Cr-F-Li-O-P",
"density": 2.7066193788968174,
"density_atomic": 0.09005338379976965,
"volume": 566.3307456985359,
"volume_molar": 6.687300916298721,
"formula_full": "Li12 Cr3 P6 O24 F6",
"formula_reduced": "Li4CrP2(O4F)2",
"formula_anonymous": "AB2C2D4E8",
"energy": -350.16593519,
"energy_per_atom": -6.865998729215687,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -324.90893519,
"band_gap": 3.5923000000000003,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 5.9986357,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:02.985000Z",
"spacegroup": 1
}
]
}