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{
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"structure_string": "Cu16 Bi4 Se16 I4\n1.0\n0.000000 -4.141863 0.000000\n-9.756640 0.000000 0.000000\n0.000000 0.000000 -23.184014\nCu Bi Se I\n16 4 16 4\ndirect\n0.750000 0.353121 0.907225 Cu\n0.750000 0.853121 0.592775 Cu\n0.250000 0.646879 0.092775 Cu\n0.250000 0.146879 0.407225 Cu\n0.750000 0.461566 0.469389 Cu\n0.750000 0.961566 0.030611 Cu\n0.250000 0.538434 0.530611 Cu\n0.250000 0.038434 0.969389 Cu\n0.750000 0.357847 0.295139 Cu\n0.750000 0.857847 0.204861 Cu\n0.250000 0.642153 0.704861 Cu\n0.250000 0.142153 0.795139 Cu\n0.750000 0.474520 0.738306 Cu\n0.750000 0.974520 0.761694 Cu\n0.250000 0.525480 0.261694 Cu\n0.250000 0.025480 0.238306 Cu\n0.750000 0.282644 0.124180 Bi\n0.750000 0.782644 0.375820 Bi\n0.250000 0.717356 0.875820 Bi\n0.250000 0.217356 0.624180 Bi\n0.750000 0.037243 0.658895 Se\n0.750000 0.537243 0.841105 Se\n0.250000 0.962757 0.341105 Se\n0.250000 0.462757 0.158895 Se\n0.750000 0.162114 0.230358 Se\n0.750000 0.662114 0.269642 Se\n0.250000 0.837886 0.769642 Se\n0.250000 0.337886 0.730358 Se\n0.750000 0.458167 0.578515 Se\n0.750000 0.958167 0.921485 Se\n0.250000 0.541833 0.421485 Se\n0.250000 0.041833 0.078515 Se\n0.750000 0.143324 0.845535 Se\n0.750000 0.643324 0.654465 Se\n0.250000 0.856676 0.154465 Se\n0.250000 0.356676 0.345535 Se\n0.750000 0.184192 0.476993 I\n0.750000 0.684192 0.023007 I\n0.250000 0.815808 0.523007 I\n0.250000 0.315808 0.976993 I\n",
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{
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"structure_string": "Th2 Co18 Si4\n1.0\n-4.864822 4.864822 3.144584\n4.864822 -4.864822 3.144584\n4.864822 4.864822 -3.144584\nTh Co Si\n2 18 4\ndirect\n0.000000 0.000000 0.000000 Th\n0.250000 0.750000 0.500000 Th\n0.750000 0.250000 0.500000 Co\n0.767361 0.185708 0.830687 Co\n0.355021 0.936674 0.169313 Co\n0.186674 0.517361 0.081653 Co\n0.894979 0.564292 0.081653 Co\n0.482639 0.813326 0.918347 Co\n0.435708 0.105021 0.918347 Co\n0.063326 0.644979 0.830687 Co\n0.814292 0.644979 0.581653 Co\n0.482639 0.564292 0.669313 Co\n0.894979 0.813326 0.330687 Co\n0.063326 0.232639 0.418347 Co\n0.355021 0.185708 0.418347 Co\n0.767361 0.936674 0.581653 Co\n0.435708 0.517361 0.330687 Co\n0.186674 0.105021 0.669313 Co\n0.814292 0.232639 0.169313 Co\n0.500000 0.500000 0.000000 Co\n0.625000 0.875000 0.250000 Si\n0.625000 0.375000 0.250000 Si\n0.125000 0.375000 0.750000 Si\n0.625000 0.375000 0.750000 Si\n",
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},
{
"id": "mp-761125",
"created_at": "2022-09-04T14:39:28.640471Z",
"structure_string": "Li8 V4 O8 F8\n1.0\n5.946701 0.000250 -0.000062\n0.000253 6.037222 0.042487\n-0.000085 0.055174 8.405248\nLi V O F\n8 4 8 8\ndirect\n0.246762 0.251857 0.389837 Li\n0.246760 0.748134 0.110179 Li\n0.253401 0.499998 0.750002 Li\n0.502040 0.255510 0.989162 Li\n0.502063 0.744489 0.510849 Li\n0.736767 0.500003 0.250014 Li\n0.752657 0.243416 0.618695 Li\n0.752667 0.756595 0.881306 Li\n0.024645 0.259022 0.986338 V\n0.024852 0.740899 0.513625 V\n0.230922 0.000010 0.750048 V\n0.742054 0.000015 0.249942 V\n0.011876 0.235417 0.764900 O\n0.011917 0.764593 0.735074 O\n0.244289 0.015866 0.971559 O\n0.244296 0.984126 0.528466 O\n0.223960 0.463351 0.008578 O\n0.223989 0.536680 0.491453 O\n0.776413 0.973209 0.462742 O\n0.776384 0.026786 0.037211 O\n0.478412 0.242515 0.744539 F\n0.478428 0.757493 0.755485 F\n0.519927 0.239306 0.257577 F\n0.519927 0.760700 0.242417 F\n0.755475 0.526710 0.494565 F\n0.755424 0.473312 0.005443 F\n0.981836 0.246042 0.246886 F\n0.981858 0.753946 0.253111 F\n",
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{
"id": "mp-758038",
"created_at": "2022-09-04T14:39:28.645345Z",
"structure_string": "La4 Ti6 O18\n1.0\n2.754605 8.263645 0.000000\n-2.754605 8.263645 0.000000\n0.000000 5.507784 7.862436\nLa Ti O\n4 6 18\ndirect\n0.000000 0.000000 0.000000 La\n0.666964 0.666964 0.999229 La\n0.500000 0.500000 0.500000 La\n0.333036 0.333036 0.000771 La\n0.917861 0.917861 0.745414 Ti\n0.748441 0.748441 0.265281 Ti\n0.590574 0.590574 0.739386 Ti\n0.409426 0.409426 0.260614 Ti\n0.251559 0.251559 0.734719 Ti\n0.082139 0.082139 0.254586 Ti\n0.000000 0.000000 0.500000 O\n0.832178 0.832178 0.998724 O\n0.654177 0.654177 0.501157 O\n0.731161 0.252616 0.764417 O\n0.905754 0.429274 0.237817 O\n0.500000 0.500000 0.000000 O\n0.592908 0.090657 0.224589 O\n0.909343 0.407092 0.775411 O\n0.747384 0.268839 0.235583 O\n0.570726 0.094246 0.762183 O\n0.429274 0.905754 0.237817 O\n0.252616 0.731161 0.764417 O\n0.090657 0.592908 0.224589 O\n0.345823 0.345823 0.498843 O\n0.167822 0.167822 0.001276 O\n0.407092 0.909343 0.775411 O\n0.268839 0.747384 0.235583 O\n0.094246 0.570726 0.762183 O\n",
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"elements": [
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"formula_full": "La4 Ti6 O18",
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{
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"created_at": "2022-09-04T14:39:28.647677Z",
"structure_string": "Ca1 Fe8 O12\n1.0\n0.461761 5.294525 0.564498\n0.375270 0.594191 5.536097\n8.896614 0.652773 0.551842\nCa Fe O\n1 8 12\ndirect\n0.567366 0.399543 0.705941 Ca\n0.282036 0.446494 0.101142 Fe\n0.227506 0.003570 0.403664 Fe\n0.139691 0.470148 0.497746 Fe\n0.328628 0.943130 0.995414 Fe\n0.852703 0.631108 0.906957 Fe\n0.732156 0.928320 0.565689 Fe\n0.731345 0.628883 0.278325 Fe\n0.775708 0.109789 0.068962 Fe\n0.447298 0.638034 0.905334 O\n0.937056 0.156656 0.577158 O\n0.083146 0.357215 0.308343 O\n0.465088 0.934586 0.196564 O\n0.629077 0.398230 0.173523 O\n0.946310 0.810325 0.384115 O\n0.904834 0.620669 0.676704 O\n0.630445 0.069730 0.890324 O\n0.976067 0.769026 0.079191 O\n0.418803 0.164279 0.532960 O\n0.079815 0.254992 0.973385 O\n0.444922 0.665272 0.474988 O\n",
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{
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"created_at": "2022-09-04T14:39:28.669285Z",
"structure_string": "Li4 Fe6 P8 O28\n1.0\n5.293614 0.000000 0.000000\n2.040263 6.286326 0.000000\n2.126585 1.786590 15.789152\nLi Fe P O\n4 6 8 28\ndirect\n0.068100 0.233459 0.991002 Li\n0.362551 0.696387 0.120443 Li\n0.637449 0.303613 0.879557 Li\n0.931900 0.766541 0.008998 Li\n0.162374 0.288190 0.576086 Fe\n0.034995 0.623965 0.812146 Fe\n0.253143 0.970733 0.333165 Fe\n0.746857 0.029267 0.666835 Fe\n0.965005 0.376035 0.187854 Fe\n0.837626 0.711810 0.423914 Fe\n0.165662 0.093430 0.788430 P\n0.368518 0.442546 0.318393 P\n0.563459 0.248044 0.074552 P\n0.281038 0.781984 0.538411 P\n0.718962 0.218016 0.461589 P\n0.436541 0.751956 0.925448 P\n0.631482 0.557454 0.681607 P\n0.834338 0.906570 0.211570 P\n0.029410 0.032525 0.221115 O\n0.256172 0.328708 0.076846 O\n0.216051 0.303304 0.290433 O\n0.022927 0.284280 0.839656 O\n0.180750 0.659849 0.340574 O\n0.136603 0.615829 0.534342 O\n0.329534 0.142294 0.706389 O\n0.606192 0.060822 0.153542 O\n0.106918 0.975310 0.581283 O\n0.707846 0.142856 0.995162 O\n0.463622 0.320553 0.408437 O\n0.314843 0.579167 0.909502 O\n0.574409 0.158770 0.548207 O\n0.602454 0.468996 0.257489 O\n0.397546 0.531004 0.742511 O\n0.425591 0.841230 0.451793 O\n0.685157 0.420833 0.090498 O\n0.536378 0.679447 0.591563 O\n0.292154 0.857144 0.004838 O\n0.893082 0.024690 0.418717 O\n0.393808 0.939178 0.846458 O\n0.670466 0.857706 0.293611 O\n0.863397 0.384171 0.465658 O\n0.819250 0.340151 0.659426 O\n0.977073 0.715720 0.160344 O\n0.783949 0.696696 0.709567 O\n0.743828 0.671292 0.923154 O\n0.970590 0.967475 0.778885 O\n",
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{
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"structure_string": "Sr4 Ca4 Ti1 Mn7 O24\n1.0\n5.445499 5.445865 0.000000\n-5.445499 5.445865 0.000000\n0.000000 0.003530 7.703495\nSr Ca Ti Mn O\n4 4 1 7 24\ndirect\n0.248349 0.751853 0.751842 Sr\n0.751704 0.751704 0.751915 Sr\n0.751853 0.248349 0.751842 Sr\n0.248201 0.248201 0.248097 Sr\n0.247493 0.752199 0.247649 Ca\n0.752475 0.752475 0.247658 Ca\n0.247706 0.247706 0.752241 Ca\n0.752199 0.247493 0.247649 Ca\n0.500003 0.500003 0.497393 Ti\n0.000109 0.499946 0.000817 Mn\n0.499946 0.499946 0.000362 Mn\n0.000071 0.499919 0.498791 Mn\n0.000068 0.000068 0.000885 Mn\n0.499946 0.000109 0.000817 Mn\n0.000098 0.000098 0.499055 Mn\n0.499919 0.000071 0.498791 Mn\n0.999998 0.750176 0.006636 O\n0.499942 0.749903 0.006858 O\n0.000012 0.749879 0.493330 O\n0.499971 0.752672 0.495475 O\n0.999981 0.249840 0.000929 O\n0.500068 0.250054 0.000776 O\n0.999976 0.250119 0.499300 O\n0.500057 0.247333 0.498683 O\n0.003035 0.497037 0.749971 O\n0.498302 0.498302 0.752727 O\n0.997016 0.502903 0.250131 O\n0.501521 0.501521 0.247335 O\n0.002867 0.002867 0.750164 O\n0.497037 0.003035 0.749971 O\n0.997202 0.997202 0.249791 O\n0.502903 0.997016 0.250131 O\n0.250054 0.500068 0.000776 O\n0.749903 0.499942 0.006858 O\n0.247333 0.500057 0.498683 O\n0.752672 0.499971 0.495475 O\n0.249840 0.999981 0.000929 O\n0.750176 0.999998 0.006636 O\n0.250119 0.999976 0.499300 O\n0.749879 0.000012 0.493330 O\n",
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{
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{
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