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{
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{
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},
{
"id": "mp-771835",
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"structure_string": "Li12 V6 P16 O58\n1.0\n9.800028 0.000000 0.000000\n-4.887038 8.500749 0.000000\n-0.019055 -0.175827 13.996917\nLi V P O\n12 6 16 58\ndirect\n0.337924 0.682950 0.392334 Li\n0.668640 0.765056 0.058162 Li\n0.097018 0.331832 0.058358 Li\n0.762859 0.663860 0.443511 Li\n0.230197 0.325612 0.565720 Li\n0.903749 0.661650 0.934497 Li\n0.340938 0.237183 0.937963 Li\n0.330375 0.096054 0.441355 Li\n0.898717 0.230054 0.446609 Li\n0.762813 0.099828 0.935946 Li\n0.032141 0.982179 0.998283 Li\n0.975134 0.957882 0.513335 Li\n0.565940 0.564645 0.250718 V\n0.435957 0.435031 0.752432 V\n0.002003 0.567026 0.748523 V\n0.997091 0.435959 0.249134 V\n0.435254 0.999157 0.247330 V\n0.559797 0.997287 0.745625 V\n0.222029 0.918003 0.838753 P\n0.086192 0.781789 0.340037 P\n0.693333 0.913857 0.341402 P\n0.335739 0.664726 0.129913 P\n0.330244 0.662911 0.631728 P\n0.688692 0.777042 0.841273 P\n0.774042 0.684098 0.658551 P\n0.087539 0.315276 0.842432 P\n0.915052 0.688905 0.153153 P\n0.225895 0.320460 0.342400 P\n0.311006 0.225422 0.158576 P\n0.665318 0.330995 0.371547 P\n0.668726 0.333444 0.869367 P\n0.309815 0.085842 0.654771 P\n0.910730 0.222364 0.659053 P\n0.770973 0.083947 0.155408 P\n0.224772 0.016086 0.562070 O\n0.255438 0.922812 0.343370 O\n0.986550 0.767563 0.061102 O\n0.083909 0.747248 0.841171 O\n0.382073 0.926270 0.832582 O\n0.333778 0.809912 0.179268 O\n0.530289 0.903672 0.334441 O\n0.769637 0.999894 0.064274 O\n0.662791 0.918504 0.842356 O\n0.189980 0.671521 0.675274 O\n0.099436 0.630086 0.329698 O\n0.480405 0.810529 0.675943 O\n0.338302 0.665251 0.023967 O\n0.330847 0.660730 0.524296 O\n0.491587 0.674823 0.170702 O\n0.086917 0.469984 0.829794 O\n0.188607 0.511790 0.169930 O\n0.663865 0.742305 0.342243 O\n0.794020 0.796825 0.749106 O\n0.788261 0.771140 0.568067 O\n0.777028 0.775160 0.929962 O\n0.531273 0.620628 0.828217 O\n0.324906 0.510846 0.669514 O\n0.746171 0.661825 0.161603 O\n0.372102 0.485455 0.328139 O\n0.078596 0.340816 0.342787 O\n0.013791 0.802173 0.240380 O\n0.986652 0.785231 0.419590 O\n0.998461 0.217634 0.570522 O\n0.913217 0.653843 0.667990 O\n0.616911 0.531533 0.669600 O\n0.257471 0.342432 0.844385 O\n0.669392 0.482826 0.331470 O\n0.465851 0.384092 0.171988 O\n0.223033 0.223102 0.069252 O\n0.234878 0.238779 0.430592 O\n0.203627 0.211851 0.250298 O\n0.335863 0.256203 0.665361 O\n0.812794 0.487790 0.831479 O\n0.916436 0.532542 0.170066 O\n0.512236 0.323890 0.830411 O\n0.667155 0.332721 0.976303 O\n0.660870 0.328718 0.477733 O\n0.514779 0.183431 0.327815 O\n0.913674 0.378781 0.670432 O\n0.812862 0.326715 0.330719 O\n0.339397 0.086912 0.162413 O\n0.195798 0.989266 0.740524 O\n0.207209 0.013019 0.919278 O\n0.468074 0.091295 0.667287 O\n0.675433 0.187753 0.826809 O\n0.620655 0.093066 0.170251 O\n0.919826 0.249842 0.160589 O\n0.000489 0.227778 0.931319 O\n0.004148 0.205149 0.750555 O\n0.744188 0.082764 0.661930 O\n0.798483 0.008227 0.422303 O\n0.786236 0.985983 0.242435 O\n",
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{
"id": "mp-3261",
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{
"id": "mp-18999",
"created_at": "2022-09-04T14:47:24.298937Z",
"structure_string": "Na1 Mn7 O12\n1.0\n-3.723104 3.723104 3.723104\n3.723104 -3.723104 3.723104\n3.723104 3.723104 -3.723104\nNa Mn O\n1 7 12\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.814819 0.129133 0.314314 O\n0.814819 0.500505 0.685686 O\n0.870867 0.685686 0.185181 O\n0.499495 0.314314 0.185181 O\n0.314314 0.814819 0.129133 O\n0.185181 0.870867 0.685686 O\n0.685686 0.814819 0.500505 O\n0.185181 0.499495 0.314314 O\n0.129133 0.314314 0.814819 O\n0.314314 0.185181 0.499495 O\n0.685686 0.185181 0.870867 O\n0.500505 0.685686 0.814819 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Na",
"Mn",
"O"
],
"chemical_system": "Mn-Na-O",
"density": 4.822788334606122,
"density_atomic": 0.09688454429066047,
"volume": 206.43127494101213,
"volume_molar": 6.215790974805179,
"formula_full": "Na1 Mn7 O12",
"formula_reduced": "NaMn7O12",
"formula_anonymous": "AB7C12",
"energy": -163.82268313999998,
"energy_per_atom": -8.191134156999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -143.90268314,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 26.0016289,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:05.198000Z",
"spacegroup": 204
}
]
}