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"structure_string": "Li18 Mn18 F54\n1.0\n7.000800 0.000000 0.000000\n0.177465 8.048866 0.000000\n2.847305 2.566639 21.171625\nLi Mn F\n18 18 54\ndirect\n0.746723 0.703283 0.865694 Li\n0.897690 0.293309 0.295588 Li\n0.660097 0.398189 0.651571 Li\n0.748037 0.309247 0.446181 Li\n0.826864 0.996027 0.087496 Li\n0.536919 0.431065 0.797129 Li\n0.378669 0.281020 0.981898 Li\n0.696718 0.020550 0.232050 Li\n0.513377 0.865506 0.421388 Li\n0.486623 0.134494 0.578612 Li\n0.303282 0.979450 0.767950 Li\n0.621331 0.718980 0.018102 Li\n0.463081 0.568935 0.202871 Li\n0.173136 0.003973 0.912504 Li\n0.251963 0.690753 0.553819 Li\n0.339903 0.601811 0.348429 Li\n0.102310 0.706691 0.704412 Li\n0.253277 0.296717 0.134306 Li\n0.892401 0.352036 0.966946 Mn\n0.940207 0.009803 0.583136 Mn\n0.801506 0.047248 0.740537 Mn\n0.990741 0.669705 0.187653 Mn\n0.764238 0.692614 0.508380 Mn\n0.603044 0.038391 0.902810 Mn\n0.849898 0.676482 0.347562 Mn\n0.570090 0.756892 0.663930 Mn\n0.755347 0.359614 0.135181 Mn\n0.244653 0.640386 0.864819 Mn\n0.429910 0.243108 0.336070 Mn\n0.150102 0.323518 0.652438 Mn\n0.396956 0.961609 0.097190 Mn\n0.235762 0.307386 0.491620 Mn\n0.009259 0.330295 0.812347 Mn\n0.198494 0.952752 0.259463 Mn\n0.059793 0.990197 0.416864 Mn\n0.107599 0.647964 0.033054 Mn\n0.978013 0.168976 0.900382 F\n0.941466 0.529012 0.872632 F\n0.903994 0.863816 0.673371 F\n0.810114 0.925334 0.826311 F\n0.963503 0.171165 0.484141 F\n0.861109 0.215912 0.644894 F\n0.630055 0.788498 0.935033 F\n0.965619 0.521886 0.282005 F\n0.728999 0.253416 0.794621 F\n0.853534 0.531096 0.439976 F\n0.896432 0.858417 0.261316 F\n0.633020 0.288414 0.937120 F\n0.741736 0.600376 0.599345 F\n0.791753 0.879666 0.423113 F\n0.658628 0.946450 0.577613 F\n0.535502 0.616332 0.839734 F\n0.539456 0.972430 0.711655 F\n0.568024 0.529035 0.713951 F\n0.881306 0.223609 0.060500 F\n0.802863 0.234829 0.225517 F\n0.702855 0.259316 0.366756 F\n0.817950 0.550386 0.029260 F\n0.722233 0.609768 0.172158 F\n0.378923 0.985318 0.845465 F\n0.522862 0.276971 0.501817 F\n0.658394 0.931016 0.038642 F\n0.441063 0.293081 0.635676 F\n0.558937 0.706919 0.364324 F\n0.341606 0.068984 0.961358 F\n0.477138 0.723029 0.498183 F\n0.621077 0.014682 0.154535 F\n0.277767 0.390232 0.827842 F\n0.182050 0.449614 0.970740 F\n0.297145 0.740684 0.633244 F\n0.197137 0.765171 0.774483 F\n0.118694 0.776391 0.939500 F\n0.431976 0.470965 0.286049 F\n0.460544 0.027570 0.288345 F\n0.464498 0.383668 0.160266 F\n0.341372 0.053550 0.422387 F\n0.208247 0.120334 0.576887 F\n0.258264 0.399624 0.400655 F\n0.366980 0.711586 0.062880 F\n0.103568 0.141583 0.738684 F\n0.146466 0.468904 0.560024 F\n0.271001 0.746584 0.205379 F\n0.034381 0.478114 0.717995 F\n0.369945 0.211502 0.064967 F\n0.138891 0.784088 0.355106 F\n0.036497 0.828835 0.515859 F\n0.189886 0.074666 0.173689 F\n0.096006 0.136184 0.326629 F\n0.058534 0.470988 0.127368 F\n0.021987 0.831024 0.099618 F\n",
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"elements": [
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],
"chemical_system": "F-Li-Mn",
"density": 2.9783302208766917,
"density_atomic": 0.07544074150635977,
"volume": 1192.9893344488517,
"volume_molar": 7.982610774699668,
"formula_full": "Li18 Mn18 F54",
"formula_reduced": "LiMnF3",
"formula_anonymous": "ABC3",
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"updated_at": "2021-11-28T01:35:28.337000Z",
"spacegroup": 2
},
{
"id": "mp-771993",
"created_at": "2022-09-04T14:41:09.487023Z",
"structure_string": "Li2 Zn4 Fe18 O32\n1.0\n4.282111 -4.266837 -0.007647\n-4.282060 -0.007310 -4.273687\n12.838938 12.775240 -8.516981\nLi Zn Fe O\n2 4 18 32\ndirect\n0.182003 0.369686 0.560168 Li\n0.938854 0.876839 0.813101 Li\n0.344183 0.688544 0.030795 Zn\n0.220412 0.938735 0.156278 Zn\n0.097386 0.188292 0.282792 Zn\n0.972807 0.436173 0.408702 Zn\n0.995866 0.997243 0.996198 Fe\n0.720533 0.939051 0.156346 Fe\n0.219144 0.437613 0.156391 Fe\n0.693240 0.375252 0.065357 Fe\n0.446045 0.871280 0.313581 Fe\n0.747114 0.506045 0.250643 Fe\n0.971970 0.943580 0.408095 Fe\n0.463152 0.433915 0.407657 Fe\n0.204927 0.927630 0.654808 Fe\n0.838552 0.685058 0.534147 Fe\n0.720940 0.927071 0.654756 Fe\n0.490043 0.003734 0.501355 Fe\n0.251045 0.497143 0.747671 Fe\n0.468549 0.938511 0.903928 Fe\n0.724321 0.445068 0.654866 Fe\n0.469718 0.431784 0.903654 Fe\n0.597759 0.190101 0.783139 Fe\n0.962822 0.432384 0.904292 Fe\n0.049413 0.563858 0.095681 O\n0.527049 0.572466 0.097129 O\n0.410662 0.804310 0.213419 O\n0.027598 0.068970 0.095727 O\n0.905068 0.826154 0.215745 O\n0.391963 0.312604 0.215565 O\n0.130625 0.809347 0.471775 O\n0.286733 0.552177 0.346520 O\n0.534744 0.048292 0.095309 O\n0.283382 0.068100 0.348671 O\n0.018646 0.575130 0.597416 O\n0.158986 0.298110 0.459470 O\n0.910265 0.305231 0.214379 O\n0.781312 0.570730 0.349933 O\n0.657183 0.804080 0.468160 O\n0.656938 0.333449 0.471660 O\n0.415685 0.831330 0.717831 O\n0.797803 0.061915 0.346634 O\n0.558398 0.575113 0.597085 O\n0.012384 0.028906 0.596234 O\n0.901245 0.805718 0.711035 O\n0.162902 0.805294 0.962886 O\n0.415994 0.299309 0.717145 O\n0.530949 0.064646 0.600958 O\n0.284682 0.566266 0.847441 O\n0.639589 0.803751 0.961852 O\n0.887819 0.300368 0.717007 O\n0.162025 0.325166 0.962805 O\n0.317300 0.081115 0.847630 O\n0.769132 0.533293 0.847211 O\n0.766304 0.081779 0.847629 O\n0.654945 0.311383 0.965772 O\n",
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{
"id": "mp-759248",
"created_at": "2022-09-04T14:46:35.190429Z",
"structure_string": "Fe18 O18 F18\n1.0\n3.118595 0.000000 0.000000\n0.000000 14.164934 0.000000\n0.000000 0.016026 14.241435\nFe O F\n18 18 18\ndirect\n0.000000 0.987022 0.003612 Fe\n0.000000 0.987808 0.667676 Fe\n0.000000 0.993493 0.341318 Fe\n0.500000 0.848257 0.834568 Fe\n0.500000 0.847628 0.501347 Fe\n0.500000 0.851622 0.174785 Fe\n0.000000 0.660226 0.008486 Fe\n0.000000 0.654301 0.669279 Fe\n0.000000 0.654924 0.336125 Fe\n0.500000 0.512893 0.502137 Fe\n0.500000 0.495007 0.817403 Fe\n0.500000 0.511838 0.170230 Fe\n0.000000 0.319862 0.002620 Fe\n0.000000 0.326971 0.675451 Fe\n0.000000 0.319234 0.336919 Fe\n0.500000 0.179195 0.834960 Fe\n0.500000 0.160971 0.484537 Fe\n0.500000 0.179418 0.169815 Fe\n0.500000 0.935766 0.730422 O\n0.500000 0.933107 0.397004 O\n0.500000 0.936035 0.066226 O\n0.000000 0.897070 0.899166 O\n0.000000 0.899258 0.564264 O\n0.000000 0.900989 0.234570 O\n0.500000 0.604891 0.734837 O\n0.500000 0.602062 0.397761 O\n0.500000 0.601629 0.062683 O\n0.000000 0.564211 0.565854 O\n0.000000 0.566344 0.230027 O\n0.000000 0.432742 0.765528 O\n0.500000 0.263809 0.726369 O\n0.500000 0.270672 0.400614 O\n0.500000 0.268624 0.064452 O\n0.000000 0.232928 0.896543 O\n0.000000 0.232446 0.231381 O\n0.000000 0.099946 0.432416 O\n0.000000 0.768577 0.767721 F\n0.000000 0.767497 0.433101 F\n0.000000 0.768436 0.101834 F\n0.500000 0.729775 0.934452 F\n0.500000 0.732747 0.267469 F\n0.500000 0.732397 0.600774 F\n0.000000 0.565660 0.898315 F\n0.000000 0.435849 0.432971 F\n0.000000 0.435143 0.100962 F\n0.500000 0.403147 0.936764 F\n0.500000 0.394778 0.595762 F\n0.500000 0.399617 0.266961 F\n0.000000 0.230104 0.563277 F\n0.000000 0.100419 0.768391 F\n0.000000 0.101980 0.099404 F\n0.500000 0.065460 0.933819 F\n0.500000 0.068653 0.603663 F\n0.500000 0.066561 0.262978 F\n",
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"updated_at": "2021-11-28T01:37:32.468000Z",
"spacegroup": 6
}
]
}