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{
"id": "mp-1640489",
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"structure_string": "K4 Mn4 P12 H4 O40\n1.0\n7.302045 0.013927 0.010905\n-2.195369 9.151995 8.704963\n0.157410 -4.831500 8.618616\nK Mn P H O\n4 4 12 4 40\ndirect\n0.827066 0.403263 0.854878 K\n0.326597 0.902516 0.355292 K\n0.172999 0.597654 0.143212 K\n0.672557 0.097249 0.643792 K\n0.750497 0.749624 0.251021 Mn\n0.749030 0.250363 0.249396 Mn\n0.250596 0.249589 0.751071 Mn\n0.249179 0.750611 0.749333 Mn\n0.422300 0.164868 0.048749 P\n0.922433 0.664802 0.548795 P\n0.577488 0.833614 0.952851 P\n0.077935 0.333527 0.452662 P\n0.668450 0.505110 0.198523 P\n0.168201 0.005116 0.698647 P\n0.330644 0.495384 0.801379 P\n0.830509 0.995329 0.301412 P\n0.985382 0.839064 0.943655 P\n0.485708 0.339095 0.443583 P\n0.014741 0.161533 0.056563 P\n0.514924 0.661592 0.556631 P\n0.499614 0.499909 0.997193 H\n0.999501 0.999914 0.497140 H\n0.502914 0.996664 0.996923 H\n0.004015 0.496080 0.495863 H\n0.218104 0.169210 0.114580 O\n0.718244 0.669287 0.614682 O\n0.780891 0.831936 0.885587 O\n0.281221 0.331816 0.385412 O\n0.492086 0.513425 0.117449 O\n0.991983 0.013425 0.617418 O\n0.507507 0.487221 0.883447 O\n0.007460 0.987226 0.383429 O\n0.436105 0.220769 0.892016 O\n0.935993 0.720899 0.392048 O\n0.564388 0.779238 0.109346 O\n0.064447 0.279356 0.609171 O\n0.593344 0.456434 0.363151 O\n0.093076 0.956412 0.863161 O\n0.407788 0.543890 0.637897 O\n0.907597 0.043883 0.137865 O\n0.553096 0.235685 0.122775 O\n0.053237 0.735836 0.622635 O\n0.445490 0.765039 0.877758 O\n0.945673 0.265183 0.377635 O\n0.787248 0.616447 0.197580 O\n0.287151 0.116431 0.697664 O\n0.214121 0.383505 0.803220 O\n0.713751 0.883540 0.303259 O\n0.789000 0.429794 0.160026 O\n0.288854 0.929819 0.660243 O\n0.210801 0.570558 0.840530 O\n0.710882 0.070616 0.340562 O\n0.981573 0.831453 0.097202 O\n0.481719 0.331411 0.597164 O\n0.017931 0.168512 0.903076 O\n0.517972 0.668528 0.403185 O\n0.939722 0.544523 0.582429 O\n0.439508 0.044465 0.082549 O\n0.060837 0.455391 0.418011 O\n0.560136 0.955317 0.918530 O\n0.928273 0.249719 0.100386 O\n0.428314 0.749759 0.600448 O\n0.070541 0.750808 0.898975 O\n0.570655 0.250762 0.398933 O\n",
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"updated_at": "2021-11-28T01:36:09.936000Z",
"spacegroup": 1
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{
"id": "mp-27546",
"created_at": "2022-09-04T14:42:54.986099Z",
"structure_string": "Ca2 Cl2 F2\n1.0\n3.914462 0.000000 0.000000\n0.000000 3.914462 0.000000\n0.000000 0.000000 6.925652\nCa Cl F\n2 2 2\ndirect\n0.000000 0.500000 0.805680 Ca\n0.500000 0.000000 0.194320 Ca\n0.500000 0.000000 0.644606 Cl\n0.000000 0.500000 0.355394 Cl\n0.500000 0.500000 0.000000 F\n0.000000 0.000000 0.000000 F\n",
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{
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"structure_string": "Mg20 Mn16\n1.0\n0.000000 0.000000 2.863526\n9.868215 0.000000 0.000000\n0.000000 23.334880 0.000000\nMg Mn\n20 16\ndirect\n0.500000 0.393962 0.368453 Mg\n0.500000 0.606038 0.631547 Mg\n0.500000 0.106038 0.868453 Mg\n0.500000 0.893962 0.131547 Mg\n0.000000 0.375253 0.245943 Mg\n0.000000 0.624747 0.754057 Mg\n0.000000 0.124747 0.745943 Mg\n0.000000 0.875253 0.254057 Mg\n0.000000 0.115022 0.400463 Mg\n0.000000 0.884978 0.599537 Mg\n0.000000 0.384978 0.900463 Mg\n0.000000 0.615022 0.099537 Mg\n0.500000 0.231814 0.001389 Mg\n0.500000 0.768186 0.998611 Mg\n0.500000 0.268186 0.501389 Mg\n0.500000 0.731814 0.498611 Mg\n0.500000 0.343170 0.127274 Mg\n0.500000 0.656830 0.872726 Mg\n0.500000 0.156830 0.627274 Mg\n0.500000 0.843170 0.372726 Mg\n0.500000 0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.120189 0.196677 Mn\n0.000000 0.879811 0.803323 Mn\n0.000000 0.379811 0.696677 Mn\n0.000000 0.620189 0.303323 Mn\n0.000000 0.383877 0.589402 Mn\n0.000000 0.616123 0.410598 Mn\n0.000000 0.116123 0.089402 Mn\n0.000000 0.883877 0.910598 Mn\n0.500000 0.127352 0.291980 Mn\n0.500000 0.872648 0.708020 Mn\n0.500000 0.372648 0.791980 Mn\n0.500000 0.627352 0.208020 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n",
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"formula_full": "Mg20 Mn16",
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{
"id": "mp-1111078",
"created_at": "2022-09-04T14:42:55.026749Z",
"structure_string": "K3 Ru1 F6\n1.0\n0.000000 4.511486 4.511486\n4.511486 0.000000 4.511486\n4.511486 4.511486 0.000000\nK Ru F\n3 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Ru\n0.223956 0.223956 0.776044 F\n0.223956 0.776044 0.776044 F\n0.776044 0.776044 0.223956 F\n0.223956 0.776044 0.223956 F\n0.776044 0.223956 0.776044 F\n0.776044 0.223956 0.223956 F\n",
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{
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"created_at": "2022-09-04T14:42:55.089575Z",
"structure_string": "Ca4 B8 H16\n1.0\n-6.442892 -4.602030 0.000000\n-6.442892 4.602030 0.000000\n6.442892 0.000000 -6.609850\nCa B H\n4 8 16\ndirect\n0.625000 0.875000 0.750000 Ca\n0.125000 0.875000 0.750000 Ca\n0.125000 0.375000 0.250000 Ca\n0.125000 0.875000 0.250000 Ca\n0.475647 0.528665 0.415142 B\n0.939495 0.886477 0.415142 B\n0.471335 0.524353 0.584858 B\n0.774353 0.221335 0.084858 B\n0.113523 0.060505 0.584858 B\n0.310505 0.863523 0.084858 B\n0.778665 0.225647 0.915142 B\n0.136477 0.689495 0.915142 B\n0.378611 0.417408 0.231261 H\n0.852650 0.813853 0.231261 H\n0.582592 0.621389 0.768739 H\n0.871389 0.332592 0.268739 H\n0.186147 0.147350 0.768739 H\n0.397350 0.936147 0.268739 H\n0.667408 0.128611 0.731261 H\n0.063853 0.602650 0.731261 H\n0.588232 0.633318 0.443526 H\n0.855294 0.810208 0.443526 H\n0.366682 0.411768 0.556474 H\n0.661768 0.116682 0.056474 H\n0.189792 0.144706 0.556474 H\n0.394706 0.939792 0.056474 H\n0.883318 0.338232 0.943526 H\n0.060208 0.605294 0.943526 H\n",
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{
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"structure_string": "Y8 V4 O20\n1.0\n3.444710 7.694588 0.000000\n-3.444710 7.694588 0.000000\n0.000000 5.678560 8.915890\nY V O\n8 4 20\ndirect\n0.761472 0.507599 0.162929 Y\n0.492401 0.238528 0.337071 Y\n0.238528 0.492401 0.837071 Y\n0.507599 0.761472 0.662929 Y\n0.776011 0.289059 0.537356 Y\n0.710941 0.223989 0.962644 Y\n0.223989 0.710941 0.462644 Y\n0.289059 0.776011 0.037356 Y\n0.906023 0.714585 0.315572 V\n0.285415 0.093977 0.184428 V\n0.093977 0.285415 0.684428 V\n0.714585 0.906023 0.815572 V\n0.839429 0.546509 0.322063 O\n0.453491 0.160571 0.177937 O\n0.160571 0.453491 0.677937 O\n0.546509 0.839429 0.822063 O\n0.874578 0.721700 0.952210 O\n0.278300 0.125422 0.547790 O\n0.125422 0.278300 0.047790 O\n0.721700 0.874578 0.452210 O\n0.410640 0.817488 0.172867 O\n0.182512 0.589360 0.327133 O\n0.589360 0.182512 0.827133 O\n0.817488 0.410640 0.672867 O\n0.095273 0.077910 0.368088 O\n0.922090 0.904727 0.131912 O\n0.904727 0.922090 0.631912 O\n0.077910 0.095273 0.868088 O\n0.583390 0.384104 0.397267 O\n0.615896 0.416610 0.102733 O\n0.416610 0.615896 0.602733 O\n0.384104 0.583390 0.897267 O\n",
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{
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"structure_string": "Cu2 Pt2 N8 Cl8\n1.0\n0.000000 0.000000 4.930658\n9.182890 0.000000 0.000000\n0.000000 9.182890 0.000000\nCu Pt N Cl\n2 2 8 8\ndirect\n0.000000 0.500000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n0.000000 0.503063 0.709746 N\n0.000000 0.496937 0.290254 N\n0.500000 0.996937 0.209746 N\n0.500000 0.003063 0.790254 N\n0.000000 0.709746 0.496937 N\n0.000000 0.290254 0.503063 N\n0.500000 0.209746 0.003063 N\n0.500000 0.790254 0.996937 N\n0.500000 0.500028 0.752011 Cl\n0.500000 0.499972 0.247989 Cl\n0.000000 0.999972 0.252011 Cl\n0.000000 0.000028 0.747989 Cl\n0.500000 0.752011 0.499972 Cl\n0.500000 0.247989 0.500028 Cl\n0.000000 0.252011 0.000028 Cl\n0.000000 0.747989 0.999972 Cl\n",
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{
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"structure_string": "Rb4 Pr4 W8 O32\n1.0\n5.321676 0.000000 0.000000\n0.000000 8.404524 0.000000\n0.000000 0.000000 19.160044\nRb Pr W O\n4 4 8 32\ndirect\n0.000000 0.750000 0.769385 Rb\n0.000000 0.250000 0.230615 Rb\n0.500000 0.250000 0.730615 Rb\n0.500000 0.750000 0.269385 Rb\n0.000000 0.750000 0.007310 Pr\n0.000000 0.250000 0.992690 Pr\n0.500000 0.250000 0.492690 Pr\n0.500000 0.750000 0.507310 Pr\n0.021376 0.517760 0.399434 W\n0.978624 0.482240 0.600566 W\n0.478624 0.017760 0.100566 W\n0.978624 0.982240 0.399434 W\n0.521376 0.982240 0.899434 W\n0.021376 0.017760 0.600566 W\n0.521376 0.482240 0.100566 W\n0.478624 0.517760 0.899434 W\n0.101276 0.975396 0.313146 O\n0.898724 0.024604 0.686854 O\n0.398724 0.475396 0.186854 O\n0.898724 0.524604 0.313146 O\n0.601276 0.524604 0.813146 O\n0.101276 0.475396 0.686854 O\n0.601276 0.024604 0.186854 O\n0.398724 0.975396 0.813146 O\n0.277011 0.843030 0.099128 O\n0.722989 0.156970 0.900872 O\n0.222989 0.343030 0.400872 O\n0.722989 0.656970 0.099128 O\n0.777011 0.656970 0.599128 O\n0.277011 0.343030 0.900872 O\n0.777011 0.156970 0.400872 O\n0.222989 0.843030 0.599128 O\n0.257396 0.502352 0.035875 O\n0.742604 0.497648 0.964125 O\n0.242604 0.002352 0.464125 O\n0.742604 0.997648 0.035875 O\n0.757396 0.997648 0.535875 O\n0.257396 0.002352 0.964125 O\n0.757396 0.497648 0.464125 O\n0.242604 0.502352 0.535875 O\n0.235910 0.688228 0.408656 O\n0.764090 0.311772 0.591344 O\n0.264090 0.188228 0.091344 O\n0.764090 0.811772 0.408656 O\n0.735910 0.811772 0.908656 O\n0.235910 0.188228 0.591344 O\n0.735910 0.311772 0.091344 O\n0.264090 0.688228 0.908656 O\n",
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{
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{
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{
"id": "mp-1520190",
"created_at": "2022-09-04T14:42:55.018624Z",
"structure_string": "Ba1 Ce1 In1 Sb1 O6\n1.0\n0.000000 -4.280861 -4.280861\n4.280861 0.000000 -4.280861\n4.280861 -4.280861 0.000000\nBa Ce In Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Ce\n0.750000 0.750000 0.750000 In\n0.500000 0.500000 0.500000 Sb\n0.736761 0.263239 0.263239 O\n0.263239 0.736761 0.736761 O\n0.736761 0.263239 0.736761 O\n0.263239 0.736761 0.263239 O\n0.736761 0.736761 0.263239 O\n0.263239 0.263239 0.736761 O\n",
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"formula_full": "Ba1 Ce1 In1 Sb1 O6",
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{
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"structure_string": "Li8 Mn2 Sn2 W4 O24\n1.0\n5.429009 -0.014336 -0.009023\n-0.001271 5.836805 -8.476570\n0.581507 6.162099 4.238396\nLi Mn Sn W O\n8 2 2 4 24\ndirect\n0.564089 0.001562 0.296521 Li\n0.564082 0.501538 0.296509 Li\n0.085857 0.248548 0.778266 Li\n0.085796 0.748580 0.778239 Li\n0.551967 0.001481 0.765557 Li\n0.551899 0.501510 0.765532 Li\n0.071239 0.248165 0.293568 Li\n0.071049 0.748192 0.293586 Li\n0.504351 0.248794 0.503509 Mn\n0.504297 0.748775 0.503525 Mn\n0.002396 0.000471 0.002066 Sn\n0.002444 0.500494 0.002086 Sn\n0.000874 0.998522 0.501721 W\n0.503515 0.251898 0.002737 W\n0.503528 0.751920 0.002767 W\n0.000899 0.498537 0.501752 W\n0.791145 0.147950 0.431976 O\n0.791115 0.647936 0.431995 O\n0.976116 0.063998 0.740612 O\n0.976099 0.564022 0.740647 O\n0.178989 0.169748 0.053493 O\n0.179011 0.669861 0.053593 O\n0.291627 0.100918 0.435232 O\n0.291656 0.600916 0.435302 O\n0.321182 0.404243 0.927317 O\n0.321183 0.904242 0.927327 O\n0.478820 0.189502 0.745974 O\n0.478777 0.689559 0.746044 O\n0.491430 0.309850 0.246267 O\n0.491513 0.809823 0.246201 O\n0.661873 0.091380 0.056199 O\n0.661898 0.591369 0.056190 O\n0.685087 0.402347 0.552183 O\n0.685080 0.902340 0.552172 O\n0.805466 0.337717 0.925622 O\n0.805475 0.837729 0.925648 O\n0.987561 0.435784 0.258257 O\n0.987523 0.935798 0.258238 O\n0.189124 0.347049 0.554094 O\n0.188768 0.846933 0.553872 O\n",
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}