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{
"id": "mp-1105651",
"created_at": "2022-09-04T14:40:30.978630Z",
"structure_string": "Ca10 Pt6\n1.0\n-5.738039 5.738039 2.986559\n5.738039 -5.738039 2.986559\n5.738039 5.738039 -2.986559\nCa Pt\n10 6\ndirect\n0.711646 0.582121 0.293767 Ca\n0.288354 0.417879 0.706233 Ca\n0.788354 0.082121 0.870475 Ca\n0.211646 0.917879 0.129525 Ca\n0.582121 0.288354 0.870475 Ca\n0.417879 0.711646 0.129525 Ca\n0.082121 0.211646 0.293767 Ca\n0.917879 0.788354 0.706233 Ca\n0.750000 0.250000 0.500000 Ca\n0.250000 0.750000 0.500000 Ca\n0.155917 0.655917 0.811834 Pt\n0.844083 0.344083 0.188166 Pt\n0.344083 0.155917 0.500000 Pt\n0.655917 0.844083 0.500000 Pt\n0.250000 0.250000 0.000000 Pt\n0.750000 0.750000 0.000000 Pt\n",
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{
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{
"id": "mp-652781",
"created_at": "2022-09-04T14:40:32.566728Z",
"structure_string": "Sr20 Cu10 Bi20 O58\n1.0\n2.701713 13.618726 0.000000\n-2.701713 13.618726 0.000000\n0.000000 10.577857 24.813060\nSr Cu Bi O\n20 10 20 58\ndirect\n0.164348 0.185039 0.488902 Sr\n0.152947 0.194655 0.072109 Sr\n0.792147 0.827801 0.128009 Sr\n0.805345 0.847053 0.927891 Sr\n0.643810 0.689610 0.172267 Sr\n0.172850 0.206925 0.678219 Sr\n0.657704 0.707164 0.971548 Sr\n0.671095 0.713550 0.773773 Sr\n0.814961 0.835652 0.511098 Sr\n0.666383 0.700637 0.583414 Sr\n0.310390 0.356190 0.827733 Sr\n0.172199 0.207853 0.871991 Sr\n0.154152 0.176785 0.282323 Sr\n0.299363 0.333617 0.416586 Sr\n0.823215 0.845848 0.717677 Sr\n0.286450 0.328905 0.226227 Sr\n0.292836 0.342296 0.028452 Sr\n0.654944 0.679482 0.390537 Sr\n0.320518 0.345056 0.609463 Sr\n0.793075 0.827150 0.321781 Sr\n0.751197 0.779222 0.644349 Cu\n0.729761 0.758372 0.452130 Cu\n0.220778 0.248803 0.355651 Cu\n0.744261 0.784293 0.845200 Cu\n0.722623 0.767027 0.051346 Cu\n0.232973 0.277377 0.948654 Cu\n0.241628 0.270239 0.547870 Cu\n0.215707 0.255739 0.154800 Cu\n0.250507 0.283940 0.744262 Cu\n0.716060 0.749493 0.255738 Cu\n0.036299 0.116942 0.820890 Bi\n0.936618 0.954068 0.570245 Bi\n0.605188 0.486944 0.317673 Bi\n0.954006 0.147379 0.223054 Bi\n0.513056 0.394812 0.682327 Bi\n0.469616 0.408170 0.466598 Bi\n0.549331 0.571701 0.108825 Bi\n0.019923 0.115114 0.012156 Bi\n0.591830 0.530384 0.533402 Bi\n0.883058 0.963701 0.179110 Bi\n0.428299 0.450669 0.891175 Bi\n0.893109 0.964649 0.366938 Bi\n0.852621 0.045994 0.776946 Bi\n0.575613 0.574744 0.729073 Bi\n0.573186 0.576658 0.914671 Bi\n0.045932 0.063382 0.429755 Bi\n0.423342 0.426814 0.085329 Bi\n0.425256 0.424387 0.270927 Bi\n0.884886 0.980077 0.987844 Bi\n0.035351 0.106891 0.633062 Bi\n0.593057 0.523570 0.189873 O\n0.156476 0.163217 0.787495 O\n0.108221 0.157214 0.194216 O\n0.842786 0.891779 0.805784 O\n0.181438 0.090385 0.391009 O\n0.963967 0.496515 0.207742 O\n0.976863 0.518649 0.000775 O\n0.309373 0.402501 0.919657 O\n0.476784 0.003280 0.403105 O\n0.994647 0.533064 0.696888 O\n0.909615 0.818562 0.608991 O\n0.621261 0.694996 0.692919 O\n0.476430 0.406943 0.810127 O\n0.498973 0.042291 0.692198 O\n0.620324 0.695705 0.882113 O\n0.503485 0.036033 0.792258 O\n0.996720 0.523216 0.596895 O\n0.976660 0.177854 0.731200 O\n0.483302 0.016810 0.499357 O\n0.305004 0.378739 0.307081 O\n0.324132 0.389729 0.498374 O\n0.974499 0.181396 0.908389 O\n0.983190 0.516698 0.500643 O\n0.304295 0.379676 0.117887 O\n0.635823 0.505723 0.641683 O\n0.502598 0.021635 0.594413 O\n0.966894 0.512075 0.103334 O\n0.957709 0.501027 0.307802 O\n0.964230 0.139139 0.353053 O\n0.468991 0.990884 0.206013 O\n0.860861 0.035770 0.646947 O\n0.550443 0.321795 0.548479 O\n0.985480 0.530410 0.898091 O\n0.469590 0.014520 0.101909 O\n0.818604 0.025501 0.091611 O\n0.479714 0.359602 0.181944 O\n0.848687 0.850314 0.018227 O\n0.149686 0.151313 0.981773 O\n0.597499 0.690627 0.080343 O\n0.628172 0.515833 0.000186 O\n0.481351 0.023137 0.999225 O\n0.978365 0.497402 0.405587 O\n0.844970 0.847067 0.400979 O\n0.009116 0.531009 0.793987 O\n0.487925 0.033106 0.896666 O\n0.836783 0.843524 0.212505 O\n0.950333 0.178199 0.095656 O\n0.484167 0.371828 0.999814 O\n0.466936 0.005353 0.303112 O\n0.821801 0.049667 0.904344 O\n0.494277 0.364177 0.358317 O\n0.640398 0.520286 0.818056 O\n0.986678 0.150705 0.549551 O\n0.152933 0.155030 0.599021 O\n0.610271 0.675868 0.501626 O\n0.822146 0.023340 0.268800 O\n0.678205 0.449557 0.451521 O\n0.849295 0.013322 0.450449 O\n",
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"elements": [
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"chemical_system": "Bi-Cu-O-Sr",
"density": 6.816474578506985,
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"volume": 1825.9379546335526,
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"formula_full": "Sr20 Cu10 Bi20 O58",
"formula_reduced": "Sr10Cu5Bi10O29",
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"energy": -657.30507154,
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{
"id": "mp-1235302",
"created_at": "2022-09-04T14:40:32.568911Z",
"structure_string": "Li1 Ti2 Zn2 P2 O10\n1.0\n3.911683 -0.024201 4.150437\n-3.406980 6.384290 -0.012092\n0.077912 -0.002102 8.252552\nLi Ti Zn P O\n1 2 2 2 10\ndirect\n0.120844 0.269600 0.415478 Li\n0.511469 0.506546 0.497553 Ti\n0.459770 0.008014 0.528867 Ti\n0.806238 0.256790 0.054469 Zn\n0.476664 0.770050 0.827037 Zn\n0.457694 0.247454 0.904370 P\n0.490910 0.754428 0.145794 P\n0.505360 0.084793 0.769130 O\n0.403915 0.404011 0.815195 O\n0.511872 0.936212 0.241587 O\n0.485086 0.580405 0.254306 O\n0.130242 0.663819 0.207667 O\n0.837287 0.846743 0.843164 O\n0.845978 0.359118 0.808453 O\n0.111634 0.157289 0.198978 O\n0.473861 0.752448 0.600935 O\n0.480246 0.254815 0.396218 O\n",
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"formula_full": "Li1 Ti2 Zn2 P2 O10",
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{
"id": "mp-581510",
"created_at": "2022-09-04T14:40:32.571128Z",
"structure_string": "La16 Cd4 Co4\n1.0\n0.000000 7.059312 7.059312\n7.059312 0.000000 7.059312\n7.059312 7.059312 0.000000\nLa Cd Co\n16 4 4\ndirect\n0.940629 0.940629 0.559371 La\n0.559371 0.940629 0.559371 La\n0.559371 0.940629 0.940629 La\n0.689588 0.689588 0.310412 La\n0.154456 0.154456 0.536631 La\n0.310412 0.689588 0.689588 La\n0.154456 0.154456 0.154456 La\n0.536631 0.154456 0.154456 La\n0.310412 0.689588 0.310412 La\n0.310412 0.310412 0.689588 La\n0.689588 0.310412 0.689588 La\n0.940629 0.559371 0.559371 La\n0.559371 0.559371 0.940629 La\n0.154456 0.536631 0.154456 La\n0.689588 0.310412 0.310412 La\n0.940629 0.559371 0.940629 La\n0.236162 0.921279 0.921279 Cd\n0.921279 0.921279 0.921279 Cd\n0.921279 0.921279 0.236162 Cd\n0.921279 0.236162 0.921279 Cd\n0.920560 0.359813 0.359813 Co\n0.359813 0.359813 0.920560 Co\n0.359813 0.920560 0.359813 Co\n0.359813 0.359813 0.359813 Co\n",
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{
"id": "mp-772954",
"created_at": "2022-09-04T14:40:32.574042Z",
"structure_string": "La15 Mn16 O48\n1.0\n5.531288 0.000000 0.000000\n2.583015 12.143084 0.000000\n2.704772 0.620041 14.516812\nLa Mn O\n15 16 48\ndirect\n0.972031 0.214668 0.846446 La\n0.779931 0.542044 0.908444 La\n0.905113 0.656849 0.532158 La\n0.717840 0.968226 0.596240 La\n0.842150 0.093082 0.216697 La\n0.530995 0.281323 0.658474 La\n0.657251 0.406911 0.279571 La\n0.470859 0.720724 0.337411 La\n0.336878 0.597585 0.723494 La\n0.151739 0.902541 0.793605 La\n0.281181 0.030718 0.404769 La\n0.408246 0.144784 0.028179 La\n0.222851 0.468466 0.091591 La\n0.093504 0.343976 0.468931 La\n0.035545 0.784583 0.144371 La\n0.936063 0.437522 0.687972 Mn\n0.875199 0.875377 0.374538 Mn\n0.749841 0.750656 0.752298 Mn\n0.813097 0.312351 0.062115 Mn\n0.561201 0.060702 0.814254 Mn\n0.686920 0.187580 0.437696 Mn\n0.376460 0.375016 0.875464 Mn\n0.621853 0.627850 0.123775 Mn\n0.499243 0.500760 0.500078 Mn\n0.187496 0.690828 0.938049 Mn\n0.442024 0.935443 0.185357 Mn\n0.311817 0.813127 0.562753 Mn\n0.125998 0.123563 0.625578 Mn\n0.249693 0.249960 0.249226 Mn\n0.062717 0.562453 0.311866 Mn\n0.000340 0.996623 0.999028 Mn\n0.951650 0.722651 0.849593 O\n0.960218 0.711067 0.368850 O\n0.834533 0.585410 0.741047 O\n0.664684 0.914661 0.756124 O\n0.830363 0.029968 0.888356 O\n0.957119 0.139415 0.514709 O\n0.696728 0.380440 0.788028 O\n0.946026 0.630368 0.039194 O\n0.822498 0.505910 0.414422 O\n0.580118 0.766360 0.638273 O\n0.706052 0.891306 0.265129 O\n0.928587 0.244868 0.335986 O\n0.803474 0.118069 0.708871 O\n0.668910 0.485627 0.609890 O\n0.546211 0.358507 0.984668 O\n0.794521 0.605232 0.234593 O\n0.430104 0.731871 0.828253 O\n0.687687 0.999618 0.096132 O\n0.553297 0.868682 0.460317 O\n0.788223 0.039673 0.382207 O\n0.909716 0.166137 0.010597 O\n0.461579 0.212793 0.866183 O\n0.715593 0.458392 0.117519 O\n0.584476 0.335724 0.494351 O\n0.415168 0.664542 0.504946 O\n0.292139 0.536937 0.884955 O\n0.533711 0.784215 0.148102 O\n0.087526 0.836956 0.987425 O\n0.209065 0.960261 0.621572 O\n0.444757 0.130934 0.540087 O\n0.572565 0.259215 0.166244 O\n0.295304 0.024233 0.910284 O\n0.206643 0.391240 0.764700 O\n0.330628 0.514039 0.389359 O\n0.439508 0.627892 0.022041 O\n0.066857 0.756761 0.661676 O\n0.197132 0.886164 0.290856 O\n0.418315 0.235028 0.360333 O\n0.300410 0.112130 0.732837 O\n0.050548 0.369991 0.960248 O\n0.175928 0.492557 0.583939 O\n0.302086 0.616520 0.210626 O\n0.046240 0.861047 0.485749 O\n0.171391 0.986014 0.110310 O\n0.332658 0.086732 0.243946 O\n0.165529 0.412447 0.256803 O\n0.039861 0.288850 0.631138 O\n0.083034 0.262342 0.139190 O\n",
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"volume": 975.0491846123665,
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"formula_full": "La15 Mn16 O48",
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{
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{
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