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{
"id": "mp-1411380",
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"structure_string": "Mg2 Bi4 O10\n1.0\n3.675859 0.000000 0.000000\n-0.035855 5.178418 0.000000\n-0.030395 -0.111351 12.840854\nMg Bi O\n2 4 10\ndirect\n0.818622 0.192768 0.731574 Mg\n0.316121 0.806842 0.225397 Mg\n0.318267 0.708146 0.895320 Bi\n0.803793 0.347735 0.109582 Bi\n0.799666 0.298646 0.389207 Bi\n0.322249 0.642006 0.611538 Bi\n0.808463 0.569560 0.259372 O\n0.316823 0.437317 0.761814 O\n0.803376 0.406528 0.948406 O\n0.305358 0.549406 0.102250 O\n0.819357 0.438787 0.603740 O\n0.317170 0.592366 0.448900 O\n0.327252 0.027218 0.642766 O\n0.305275 0.135751 0.303677 O\n0.806329 0.960361 0.133943 O\n0.814117 0.875744 0.814487 O\n",
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{
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"structure_string": "Sr6 B2 P2 O6\n1.0\n2.654271 -4.597332 0.000000\n2.654271 4.597332 0.000000\n0.000000 0.000000 12.782437\nSr B P O\n6 2 2 6\ndirect\n0.333333 0.666667 0.399685 Sr\n0.000000 0.000000 0.250000 Sr\n0.000000 0.000000 0.750000 Sr\n0.666667 0.333333 0.899685 Sr\n0.666667 0.333333 0.600315 Sr\n0.333333 0.666667 0.100315 Sr\n0.333333 0.666667 0.750000 B\n0.666667 0.333333 0.250000 B\n0.000000 0.000000 0.000000 P\n0.000000 0.000000 0.500000 P\n0.515632 0.484368 0.250000 O\n0.968736 0.484368 0.250000 O\n0.484368 0.968736 0.750000 O\n0.515632 0.031264 0.250000 O\n0.031264 0.515632 0.750000 O\n0.484368 0.515632 0.750000 O\n",
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{
"id": "mp-1038568",
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"structure_string": "Mg30 Nb1 Bi1 O32\n1.0\n8.668480 0.000000 0.000000\n0.000000 8.668480 0.000000\n0.000000 0.000000 8.663010\nMg Nb Bi O\n30 1 1 32\ndirect\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.244854 0.244854 0.000000 Mg\n0.755146 0.244854 0.000000 Mg\n0.244854 0.755146 0.000000 Mg\n0.755146 0.755146 0.000000 Mg\n0.249318 0.249318 0.500000 Mg\n0.750682 0.249318 0.500000 Mg\n0.249318 0.750682 0.500000 Mg\n0.750682 0.750682 0.500000 Mg\n0.250957 0.000000 0.252402 Mg\n0.749043 0.000000 0.252402 Mg\n0.243312 0.500000 0.256782 Mg\n0.756688 0.500000 0.256782 Mg\n0.250957 0.000000 0.747598 Mg\n0.749043 0.000000 0.747598 Mg\n0.243312 0.500000 0.743218 Mg\n0.756688 0.500000 0.743218 Mg\n0.000000 0.250957 0.252402 Mg\n0.500000 0.243312 0.256782 Mg\n0.000000 0.749043 0.252402 Mg\n0.500000 0.756688 0.256782 Mg\n0.000000 0.250957 0.747598 Mg\n0.500000 0.243312 0.743218 Mg\n0.000000 0.749043 0.747598 Mg\n0.500000 0.756688 0.743218 Mg\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 0.000000 Bi\n0.000000 0.000000 0.262110 O\n0.500000 0.000000 0.253869 O\n0.000000 0.500000 0.253869 O\n0.500000 0.500000 0.269299 O\n0.000000 0.000000 0.737890 O\n0.500000 0.000000 0.746131 O\n0.000000 0.500000 0.746131 O\n0.500000 0.500000 0.730701 O\n0.250866 0.250866 0.248855 O\n0.749134 0.250866 0.248855 O\n0.250866 0.749134 0.248855 O\n0.749134 0.749134 0.248855 O\n0.250866 0.250866 0.751145 O\n0.749134 0.250866 0.751145 O\n0.250866 0.749134 0.751145 O\n0.749134 0.749134 0.751145 O\n0.260324 0.000000 0.000000 O\n0.739676 0.000000 0.000000 O\n0.231912 0.500000 0.000000 O\n0.768088 0.500000 0.000000 O\n0.251340 0.000000 0.500000 O\n0.748660 0.000000 0.500000 O\n0.247690 0.500000 0.500000 O\n0.752310 0.500000 0.500000 O\n0.000000 0.260324 0.000000 O\n0.500000 0.231912 0.000000 O\n0.000000 0.739676 0.000000 O\n0.500000 0.768088 0.000000 O\n0.000000 0.251340 0.500000 O\n0.500000 0.247690 0.500000 O\n0.000000 0.748660 0.500000 O\n0.500000 0.752310 0.500000 O\n",
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"formula_full": "Mg30 Nb1 Bi1 O32",
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"spacegroup": 123
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{
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"created_at": "2022-09-04T14:39:08.237654Z",
"structure_string": "In6 Cu2\n1.0\n3.523809 -6.103416 0.000000\n3.523809 6.103416 0.000000\n0.000000 0.000000 4.428760\nIn Cu\n6 2\ndirect\n0.180497 0.360995 0.250000 In\n0.639005 0.819503 0.250000 In\n0.180497 0.819503 0.250000 In\n0.819503 0.639005 0.750000 In\n0.360995 0.180497 0.750000 In\n0.819503 0.180497 0.750000 In\n0.333333 0.666667 0.750000 Cu\n0.666667 0.333333 0.250000 Cu\n",
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{
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"created_at": "2022-09-04T14:39:08.241789Z",
"structure_string": "Li4 Fe4 P4 C4 O28\n1.0\n8.263651 0.000000 0.000000\n-1.772176 8.093380 0.000000\n-0.475658 -0.631735 8.395708\nLi Fe P C O\n4 4 4 4 28\ndirect\n0.237532 0.987607 0.107337 Li\n0.605481 0.155907 0.282567 Li\n0.261149 0.511738 0.892976 Li\n0.768779 0.010186 0.886965 Li\n0.474333 0.718953 0.334306 Fe\n0.979482 0.225507 0.337534 Fe\n0.024853 0.772276 0.660784 Fe\n0.523454 0.276583 0.667036 Fe\n0.754873 0.504313 0.423456 P\n0.263110 0.008435 0.421576 P\n0.737186 0.989018 0.576071 P\n0.238512 0.492285 0.579031 P\n0.528426 0.777089 0.046465 C\n0.019889 0.277844 0.047303 C\n0.977956 0.730664 0.954984 C\n0.480459 0.216997 0.953978 C\n0.408683 0.655103 0.074007 O\n0.902422 0.153621 0.076768 O\n0.948521 0.699132 0.096932 O\n0.607765 0.862358 0.174667 O\n0.456001 0.170486 0.092062 O\n0.101871 0.361924 0.174147 O\n0.625540 0.567238 0.319643 O\n0.798371 0.360057 0.319354 O\n0.321206 0.882908 0.304709 O\n0.135442 0.073682 0.313644 O\n0.908388 0.643993 0.474326 O\n0.801001 0.066021 0.421735 O\n0.308847 0.565294 0.427915 O\n0.419466 0.152086 0.468973 O\n0.587309 0.845387 0.522204 O\n0.682948 0.438042 0.579187 O\n0.190601 0.936419 0.570717 O\n0.090173 0.346365 0.524455 O\n0.869516 0.928224 0.679363 O\n0.180443 0.619162 0.692898 O\n0.680732 0.116369 0.690973 O\n0.365453 0.428725 0.687643 O\n0.889868 0.642313 0.836606 O\n0.570452 0.819492 0.911707 O\n0.387688 0.141845 0.828571 O\n0.061055 0.317335 0.911649 O\n0.594824 0.337922 0.915248 O\n0.096701 0.851849 0.921711 O\n",
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"formula_full": "Li4 Fe4 P4 C4 O28",
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{
"id": "mp-1358627",
"created_at": "2022-09-04T14:39:08.244752Z",
"structure_string": "Ba4 Ce1 Eu3 Tl2 Cu4 O18\n1.0\n-3.882462 0.000000 0.000000\n-0.001526 -7.748122 0.000000\n1.941688 1.931255 15.694259\nBa Ce Eu Tl Cu O\n4 1 3 2 4 18\ndirect\n0.584825 0.707362 0.830239 Ba\n0.584842 0.207718 0.830144 Ba\n0.415387 0.292313 0.169180 Ba\n0.415033 0.792372 0.169771 Ba\n0.290213 0.354809 0.419562 Ce\n0.708327 0.144598 0.583568 Eu\n0.708270 0.647277 0.583548 Eu\n0.291162 0.854417 0.417489 Eu\n0.052155 0.999866 0.000088 Tl\n0.947094 0.500010 0.999919 Tl\n0.150058 0.424773 0.698684 Cu\n0.150774 0.925209 0.700579 Cu\n0.848398 0.575735 0.300990 Cu\n0.849933 0.074592 0.301164 Cu\n0.656317 0.421543 0.685870 O\n0.656730 0.922242 0.689122 O\n0.156301 0.672716 0.687795 O\n0.156282 0.171409 0.687879 O\n0.342255 0.572651 0.312920 O\n0.344180 0.083834 0.312946 O\n0.842198 0.328641 0.315089 O\n0.843826 0.827846 0.311905 O\n0.500206 0.250342 0.999905 O\n0.500313 0.749754 0.000216 O\n0.057586 0.466331 0.865152 O\n0.077106 0.966230 0.865599 O\n0.922798 0.533523 0.134781 O\n0.942637 0.033913 0.134771 O\n0.752905 0.373741 0.494495 O\n0.749444 0.875294 0.500951 O\n0.251309 0.616618 0.497848 O\n0.251137 0.132321 0.497833 O\n",
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"formula_full": "Ba4 Ce1 Eu3 Tl2 Cu4 O18",
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{
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"structure_string": "Li7 Mn2 Co3 O12\n1.0\n-4.973154 0.000000 0.000000\n2.277293 4.471020 0.000000\n-0.381757 -1.843437 -9.604436\nLi Mn Co O\n7 2 3 12\ndirect\n0.178201 0.091890 0.743402 Li\n0.497379 0.246397 0.256536 Li\n0.822981 0.408487 0.741252 Li\n0.502621 0.753603 0.743464 Li\n0.821799 0.908110 0.256598 Li\n0.177019 0.591513 0.258748 Li\n0.500000 0.000000 0.500000 Li\n0.169468 0.830354 0.000492 Mn\n0.830532 0.169646 0.999508 Mn\n0.163545 0.321189 0.503521 Co\n0.500000 0.500000 0.000000 Co\n0.836455 0.678811 0.496479 Co\n0.817370 0.785829 0.894793 O\n0.159229 0.976213 0.383648 O\n0.512606 0.147510 0.882032 O\n0.183239 0.480022 0.884940 O\n0.533218 0.625257 0.384576 O\n0.877345 0.322583 0.387273 O\n0.466782 0.374743 0.615424 O\n0.816761 0.519978 0.115060 O\n0.122655 0.677417 0.612727 O\n0.840771 0.023787 0.616352 O\n0.182630 0.214171 0.105207 O\n0.487394 0.852490 0.117968 O\n",
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"formula_full": "Li7 Mn2 Co3 O12",
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{
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"created_at": "2022-09-04T14:39:08.254527Z",
"structure_string": "Co3 Sn2\n1.0\n-2.111244 -3.657364 0.000000\n-2.111244 3.657364 0.000000\n0.000000 0.000000 -5.066854\nCo Sn\n3 2\ndirect\n0.000011 0.999989 0.503643 Co\n0.000011 0.999989 0.996357 Co\n0.666642 0.333358 0.250000 Co\n0.666695 0.333305 0.750000 Sn\n0.333342 0.666658 0.250000 Sn\n",
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{
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"structure_string": "Mn1 Tl2 P4 H8 O16\n1.0\n6.746332 0.001194 2.062150\n0.199892 7.573973 1.175696\n-0.115996 -0.029170 7.829361\nMn Tl P H O\n1 2 4 8 16\ndirect\n0.500000 0.500000 0.000000 Mn\n0.891862 0.276500 0.208393 Tl\n0.108138 0.723500 0.791607 Tl\n0.250704 0.807149 0.247933 P\n0.749296 0.192851 0.752067 P\n0.665914 0.737514 0.258782 P\n0.334086 0.262486 0.741218 P\n0.944104 0.733354 0.411056 H\n0.055896 0.266646 0.588944 H\n0.740598 0.959388 0.036970 H\n0.259402 0.040612 0.963030 H\n0.374398 0.301066 0.354895 H\n0.625602 0.698934 0.645105 H\n0.386983 0.174880 0.206811 H\n0.613017 0.825120 0.793189 H\n0.263005 0.998350 0.156448 O\n0.736995 0.001650 0.843552 O\n0.073540 0.782576 0.422358 O\n0.926460 0.217424 0.577642 O\n0.255390 0.669668 0.126492 O\n0.744610 0.330332 0.873508 O\n0.430705 0.771306 0.342718 O\n0.569295 0.228694 0.657281 O\n0.745320 0.674328 0.419037 O\n0.254680 0.325672 0.580963 O\n0.752089 0.923987 0.167223 O\n0.247911 0.076013 0.832777 O\n0.698244 0.612722 0.119022 O\n0.301756 0.387278 0.880978 O\n0.442485 0.281835 0.229506 O\n0.557515 0.718165 0.770494 O\n",
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