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{
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"results": [
{
"id": "mp-1221853",
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"structure_string": "Mn3 Zn1 Fe8 O16\n1.0\n-4.297774 -4.297774 0.000000\n0.000000 4.297774 -4.297774\n4.282445 -4.282445 -8.580220\nMn Zn Fe O\n3 1 8 16\ndirect\n0.812576 0.125151 0.562273 Mn\n0.187580 0.875160 0.437261 Mn\n0.687088 0.874175 0.938737 Mn\n0.312708 0.125417 0.061875 Zn\n0.499918 0.499835 0.500247 Fe\n0.000120 0.500239 0.999641 Fe\n0.750249 0.000498 0.248725 Fe\n0.249169 0.998338 0.751513 Fe\n0.750249 0.501026 0.248725 Fe\n0.249169 0.499317 0.751513 Fe\n0.250777 0.501026 0.248725 Fe\n0.750148 0.499317 0.751513 Fe\n0.881386 0.262773 0.355841 O\n0.379876 0.259752 0.860372 O\n0.108631 0.717263 0.127560 O\n0.607182 0.714365 0.631553 O\n0.108631 0.263809 0.127560 O\n0.607182 0.261265 0.631553 O\n0.655177 0.263809 0.127560 O\n0.154083 0.261265 0.631553 O\n0.618995 0.737990 0.143015 O\n0.119097 0.738194 0.642710 O\n0.392750 0.285500 0.368842 O\n0.894206 0.288412 0.871150 O\n0.392750 0.738408 0.368842 O\n0.894206 0.734644 0.871150 O\n0.845658 0.738408 0.368842 O\n0.340438 0.734644 0.871150 O\n",
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"formula_full": "Mn3 Zn1 Fe8 O16",
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{
"id": "mp-849284",
"created_at": "2022-09-04T14:46:10.249419Z",
"structure_string": "Mn12 O5 F19\n1.0\n4.846402 0.000000 0.000000\n-0.137825 5.872586 0.000000\n-0.048957 -0.080058 16.000863\nMn O F\n12 5 19\ndirect\n0.033414 0.808074 0.576628 Mn\n0.983072 0.144420 0.747162 Mn\n0.009561 0.830285 0.906384 Mn\n0.983833 0.839302 0.254316 Mn\n0.996517 0.161238 0.418746 Mn\n0.014540 0.156114 0.091419 Mn\n0.505788 0.648055 0.412299 Mn\n0.487292 0.669390 0.083060 Mn\n0.502869 0.673688 0.761710 Mn\n0.500747 0.351216 0.916001 Mn\n0.491051 0.364077 0.583027 Mn\n0.485373 0.341058 0.248201 Mn\n0.218653 0.110697 0.200344 O\n0.292989 0.625375 0.862744 O\n0.306309 0.603022 0.518886 O\n0.699761 0.611083 0.304173 O\n0.786790 0.875000 0.806254 O\n0.240556 0.895044 0.690188 F\n0.223113 0.879228 0.363960 F\n0.219477 0.884425 0.018496 F\n0.238295 0.121467 0.856455 F\n0.239455 0.111879 0.528656 F\n0.268110 0.404417 0.697702 F\n0.266931 0.383481 0.358049 F\n0.240164 0.607548 0.192183 F\n0.268688 0.382273 0.028791 F\n0.745403 0.609516 0.977111 F\n0.738314 0.379380 0.806274 F\n0.726287 0.627414 0.649247 F\n0.743595 0.394425 0.475001 F\n0.713420 0.384619 0.139751 F\n0.771747 0.878913 0.471051 F\n0.760423 0.132618 0.631610 F\n0.780913 0.112014 0.974632 F\n0.769088 0.889191 0.140804 F\n0.747464 0.110052 0.308683 F\n",
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"elements": [
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"volume": 455.3991623366702,
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"formula_full": "Mn12 O5 F19",
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"energy": -266.65553099,
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"spacegroup": 1
},
{
"id": "mp-782818",
"created_at": "2022-09-04T14:40:36.938171Z",
"structure_string": "Mn12 O5 F19\n1.0\n4.873513 0.000000 0.000000\n0.064618 5.862844 0.000000\n0.137128 0.204380 15.902877\nMn O F\n12 5 19\ndirect\n0.016390 0.824871 0.578633 Mn\n0.994394 0.144440 0.753231 Mn\n0.961082 0.830199 0.917185 Mn\n0.042155 0.820798 0.251975 Mn\n0.001277 0.141551 0.411638 Mn\n0.002689 0.161068 0.084577 Mn\n0.469729 0.664083 0.418345 Mn\n0.502756 0.667887 0.082466 Mn\n0.522928 0.682177 0.754266 Mn\n0.505142 0.355916 0.919000 Mn\n0.488900 0.351267 0.581439 Mn\n0.496413 0.356928 0.247244 Mn\n0.217360 0.869364 0.360553 O\n0.282269 0.613781 0.522608 O\n0.299960 0.619843 0.192267 O\n0.704189 0.626223 0.973671 O\n0.784857 0.893063 0.811059 O\n0.238914 0.892430 0.691301 F\n0.207460 0.873781 0.022827 F\n0.226430 0.110315 0.869334 F\n0.226823 0.114818 0.526511 F\n0.248167 0.111765 0.191440 F\n0.260066 0.610526 0.858254 F\n0.266232 0.383467 0.698388 F\n0.264591 0.376328 0.355788 F\n0.270680 0.393255 0.030539 F\n0.734711 0.389219 0.805319 F\n0.739136 0.605055 0.640126 F\n0.724708 0.391689 0.464629 F\n0.734722 0.394578 0.139602 F\n0.716364 0.623872 0.314519 F\n0.758559 0.892671 0.474141 F\n0.768224 0.107649 0.636377 F\n0.753735 0.116316 0.979231 F\n0.793810 0.871832 0.145263 F\n0.774178 0.116974 0.296252 F\n",
"nsites": 36,
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"elements": [
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],
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"density": 4.020719062751805,
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"formula_full": "Mn12 O5 F19",
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"updated_at": "2021-11-28T01:35:03.984000Z",
"spacegroup": 1
},
{
"id": "mp-766056",
"created_at": "2022-09-04T14:47:19.188690Z",
"structure_string": "Mn12 O5 F19\n1.0\n5.324765 0.000000 0.000000\n-0.122964 5.375966 0.000000\n-0.170652 -1.090684 15.346973\nMn O F\n12 5 19\ndirect\n0.005208 0.060977 0.009013 Mn\n0.981511 0.546508 0.826135 Mn\n0.995285 0.058485 0.666648 Mn\n0.019649 0.528137 0.505536 Mn\n0.940167 0.960600 0.327503 Mn\n0.066063 0.503254 0.163350 Mn\n0.501237 0.889861 0.832955 Mn\n0.498971 0.469461 0.010252 Mn\n0.437775 0.508576 0.327470 Mn\n0.529161 0.989669 0.481041 Mn\n0.468119 0.418698 0.677492 Mn\n0.462194 0.988863 0.163931 Mn\n0.158553 0.345281 0.737808 O\n0.272926 0.275443 0.098688 O\n0.304773 0.703798 0.238409 O\n0.661771 0.743223 0.381999 O\n0.653981 0.624682 0.762992 O\n0.170442 0.851313 0.760896 F\n0.348452 0.122932 0.921701 F\n0.176679 0.795222 0.422615 F\n0.306731 0.154862 0.587947 F\n0.170627 0.761429 0.069984 F\n0.167524 0.250884 0.277204 F\n0.306355 0.617872 0.900369 F\n0.378534 0.331884 0.435166 F\n0.301917 0.661565 0.593401 F\n0.658960 0.829672 0.054756 F\n0.830651 0.355041 0.931804 F\n0.781445 0.358077 0.603711 F\n0.656772 0.206077 0.267776 F\n0.813853 0.848478 0.566670 F\n0.836085 0.851286 0.899477 F\n0.820399 0.736787 0.213964 F\n0.863954 0.214501 0.436674 F\n0.786152 0.318958 0.100740 F\n0.667122 0.117645 0.743925 F\n",
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"formula_full": "Mn12 O5 F19",
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{
"id": "mp-778930",
"created_at": "2022-09-04T14:46:24.241947Z",
"structure_string": "Mn12 O5 F19\n1.0\n4.842159 0.000000 0.000000\n0.122440 5.838029 0.000000\n0.004188 0.133492 15.955445\nMn O F\n12 5 19\ndirect\n0.960630 0.816480 0.420609 Mn\n0.023764 0.182046 0.247098 Mn\n0.017052 0.831581 0.078873 Mn\n0.010813 0.835888 0.747389 Mn\n0.004586 0.157969 0.584070 Mn\n0.972051 0.160005 0.905755 Mn\n0.494566 0.649430 0.587075 Mn\n0.485703 0.655815 0.923123 Mn\n0.496883 0.653291 0.245553 Mn\n0.471385 0.351781 0.085643 Mn\n0.501659 0.355399 0.420480 Mn\n0.512694 0.347387 0.750859 Mn\n0.772841 0.120567 0.797707 O\n0.692780 0.608695 0.481334 O\n0.284044 0.603928 0.030856 O\n0.296435 0.399280 0.191982 O\n0.299767 0.608026 0.694918 O\n0.761766 0.889077 0.300292 F\n0.775710 0.876795 0.637342 F\n0.768512 0.883312 0.969630 F\n0.760161 0.122129 0.132821 F\n0.761545 0.107815 0.473602 F\n0.756019 0.621819 0.143291 F\n0.745006 0.396171 0.310979 F\n0.736296 0.386441 0.642051 F\n0.738823 0.608813 0.814817 F\n0.715608 0.370670 0.979861 F\n0.256947 0.614217 0.356087 F\n0.256430 0.394040 0.528728 F\n0.275999 0.383308 0.859663 F\n0.236055 0.904912 0.191928 F\n0.228033 0.881068 0.529287 F\n0.231023 0.118513 0.366629 F\n0.217293 0.109281 0.017304 F\n0.225658 0.882524 0.859279 F\n0.255462 0.111530 0.693089 F\n",
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{
"id": "mp-759171",
"created_at": "2022-09-04T14:48:05.312707Z",
"structure_string": "Mn12 O5 F19\n1.0\n4.855469 0.000000 0.000000\n0.101117 5.833517 0.000000\n0.054356 0.168074 15.968301\nMn O F\n12 5 19\ndirect\n0.015775 0.827842 0.411336 Mn\n0.975765 0.164568 0.237720 Mn\n0.012662 0.835537 0.080095 Mn\n0.954665 0.828407 0.751119 Mn\n0.994446 0.145760 0.587679 Mn\n0.006787 0.159800 0.917308 Mn\n0.521535 0.683722 0.586880 Mn\n0.495325 0.656911 0.918338 Mn\n0.485526 0.662981 0.255611 Mn\n0.515798 0.348664 0.082652 Mn\n0.481204 0.350168 0.416309 Mn\n0.502682 0.359875 0.751770 Mn\n0.784438 0.892212 0.645570 O\n0.777176 0.121044 0.129212 O\n0.694498 0.623102 0.807655 O\n0.300110 0.608526 0.028374 O\n0.282483 0.597354 0.366946 O\n0.776022 0.888736 0.304330 F\n0.775968 0.876511 0.970374 F\n0.755958 0.112587 0.468656 F\n0.754977 0.122330 0.810585 F\n0.744752 0.610957 0.146073 F\n0.728408 0.378116 0.309665 F\n0.736313 0.604885 0.473890 F\n0.732554 0.390526 0.639643 F\n0.738483 0.389055 0.974542 F\n0.282513 0.382648 0.189840 F\n0.270500 0.379768 0.530937 F\n0.268431 0.392517 0.863102 F\n0.256613 0.611815 0.691551 F\n0.225344 0.887815 0.191786 F\n0.236064 0.897082 0.523669 F\n0.225723 0.115805 0.352811 F\n0.259308 0.105962 0.024028 F\n0.200147 0.869236 0.856043 F\n0.231049 0.117173 0.703904 F\n",
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{
"id": "mp-849551",
"created_at": "2022-09-04T14:39:20.819506Z",
"structure_string": "Mn12 O5 F19\n1.0\n4.908278 0.000000 0.000000\n-0.237339 5.882591 0.000000\n-0.060498 -0.497248 15.817420\nMn O F\n12 5 19\ndirect\n0.994876 0.142797 0.576877 Mn\n0.006670 0.853396 0.755502 Mn\n0.030957 0.169150 0.918443 Mn\n0.954176 0.199807 0.243795 Mn\n0.981656 0.825476 0.412726 Mn\n0.008266 0.836072 0.085895 Mn\n0.510007 0.346821 0.414938 Mn\n0.497620 0.347994 0.082157 Mn\n0.481852 0.320519 0.750335 Mn\n0.489892 0.644806 0.916992 Mn\n0.522694 0.680414 0.581869 Mn\n0.514512 0.646089 0.254006 Mn\n0.793418 0.886637 0.520419 O\n0.717489 0.606959 0.357942 O\n0.697381 0.408187 0.188299 O\n0.292845 0.374255 0.977044 O\n0.215412 0.116827 0.813585 O\n0.763852 0.102590 0.689513 F\n0.763707 0.109740 0.357391 F\n0.796216 0.125846 0.024939 F\n0.770145 0.896243 0.869861 F\n0.760119 0.901374 0.191613 F\n0.740351 0.391941 0.858883 F\n0.729540 0.613223 0.698777 F\n0.734049 0.384018 0.529767 F\n0.728169 0.605984 0.029842 F\n0.267580 0.611366 0.802296 F\n0.263239 0.381261 0.633080 F\n0.269157 0.606730 0.474351 F\n0.274660 0.625611 0.148735 F\n0.253674 0.376087 0.309451 F\n0.235812 0.104856 0.465380 F\n0.237108 0.897984 0.641578 F\n0.237247 0.876709 0.976571 F\n0.236493 0.127812 0.139385 F\n0.229156 0.854417 0.307758 F\n",
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{
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}