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{
"id": "jvasp-76930",
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"structure_string": "Li2 Mg1 Ga1\n1.0\n-9.969821 -0.000000 -5.756079\n-9.817514 -0.082601 5.492276\n-6.556840 9.139978 -0.155378\nLi Mg Ga\n2 1 1\ndirect\n0.736978 -0.000000 -0.000000 Li\n0.263022 -0.000000 -0.000000 Li\n0.000000 0.000000 0.000000 Mg\n0.500000 -0.000000 -0.000000 Ga\n",
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"structure_string": "Rb12 Nb4 S16\n1.0\n9.599277 0.000000 0.000000\n-0.000000 9.657139 0.000000\n0.000000 0.000000 10.990389\nRb Nb S\n12 4 16\ndirect\n0.051258 0.290824 0.542538 Rb\n0.858301 0.915465 0.750000 Rb\n0.141699 0.084535 0.250000 Rb\n0.641699 0.415465 0.250000 Rb\n0.948742 0.709176 0.457462 Rb\n0.448742 0.790825 0.042538 Rb\n0.551259 0.209176 0.542538 Rb\n0.051258 0.290824 0.957462 Rb\n0.948742 0.709176 0.042538 Rb\n0.551259 0.209176 0.957462 Rb\n0.448742 0.790825 0.457462 Rb\n0.358301 0.584535 0.750000 Rb\n0.217865 0.515394 0.250000 Nb\n0.717865 0.984606 0.250000 Nb\n0.282135 0.015394 0.750000 Nb\n0.782135 0.484606 0.750000 Nb\n0.833498 0.050243 0.423214 S\n0.166502 0.949757 0.923214 S\n0.166502 0.949757 0.576786 S\n0.666503 0.550243 0.923214 S\n0.333498 0.449757 0.423214 S\n0.833498 0.050243 0.076786 S\n0.997035 0.421070 0.250000 S\n0.497035 0.078930 0.250000 S\n0.002965 0.578930 0.750000 S\n0.699121 0.747843 0.250000 S\n0.199121 0.752157 0.250000 S\n0.800879 0.247843 0.750000 S\n0.300879 0.252157 0.750000 S\n0.333498 0.449757 0.076786 S\n0.502965 0.921070 0.750000 S\n0.666503 0.550243 0.576786 S\n",
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{
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"structure_string": "Rb12 Ta4 S16\n1.0\n9.595489 0.000000 0.000000\n-0.000000 9.649068 0.000000\n0.000000 0.000000 10.994440\nRb Ta S\n12 4 16\ndirect\n0.051209 0.290181 0.542266 Rb\n0.857747 0.916068 0.750000 Rb\n0.142253 0.083932 0.250000 Rb\n0.642253 0.416068 0.250000 Rb\n0.948791 0.709819 0.457734 Rb\n0.448791 0.790181 0.042266 Rb\n0.551210 0.209819 0.542266 Rb\n0.051209 0.290181 0.957734 Rb\n0.948791 0.709819 0.042266 Rb\n0.551210 0.209819 0.957734 Rb\n0.448791 0.790181 0.457734 Rb\n0.357747 0.583932 0.750000 Rb\n0.217690 0.515179 0.250000 Ta\n0.717690 0.984821 0.250000 Ta\n0.282310 0.015179 0.750000 Ta\n0.782310 0.484821 0.750000 Ta\n0.833010 0.050583 0.422226 S\n0.166990 0.949417 0.922226 S\n0.166990 0.949417 0.577774 S\n0.666990 0.550583 0.922226 S\n0.333010 0.449417 0.422226 S\n0.833010 0.050583 0.077774 S\n-0.002078 0.421283 0.250000 S\n0.497922 0.078717 0.250000 S\n0.002078 0.578718 0.750000 S\n0.699302 0.748946 0.250000 S\n0.199302 0.751054 0.250000 S\n0.800698 0.248946 0.750000 S\n0.300698 0.251054 0.750000 S\n0.333010 0.449417 0.077774 S\n0.502078 0.921283 0.750000 S\n0.666990 0.550583 0.577774 S\n",
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{
"id": "jvasp-87978",
"created_at": "2022-09-04T14:35:51.711218Z",
"updated_at": "2022-09-04T14:35:51.711234Z",
"structure_string": "Hg12 Te8 I8\n1.0\n8.624853 0.000391 1.270532\n3.030121 8.075051 1.270532\n0.002744 0.001901 14.613257\nHg Te I\n12 8 8\ndirect\n0.676780 0.323219 0.750000 Hg\n0.500000 -0.000000 -0.000000 Hg\n-0.000000 0.500000 0.500000 Hg\n0.248211 0.694995 0.983815 Hg\n0.305005 0.751789 0.516185 Hg\n0.751789 0.305005 0.016185 Hg\n0.694994 0.248211 0.483815 Hg\n0.890072 0.863827 0.674547 Hg\n0.136172 0.109928 0.825453 Hg\n0.109928 0.136172 0.325453 Hg\n0.863827 0.890072 0.174547 Hg\n0.323219 0.676781 0.250000 Hg\n0.119105 0.592609 0.154989 Te\n0.141691 0.571246 0.635867 Te\n0.428753 0.858308 0.864134 Te\n0.858308 0.428754 0.364133 Te\n0.571246 0.141692 0.135867 Te\n0.592608 0.119105 0.654989 Te\n0.880894 0.407391 0.845011 Te\n0.407391 0.880894 0.345011 Te\n0.346628 0.388486 0.881751 I\n0.092889 0.129298 0.112583 I\n0.870701 0.907111 0.387417 I\n0.611513 0.653371 0.618249 I\n0.653371 0.611513 0.118249 I\n0.388486 0.346629 0.381751 I\n0.907110 0.870701 0.887417 I\n0.129298 0.092889 0.612583 I\n",
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{
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"created_at": "2022-09-04T14:35:45.853120Z",
"updated_at": "2022-09-04T14:35:45.853139Z",
"structure_string": "Pr16 Te12 N8\n1.0\n7.446863 0.000000 0.000000\n-0.000000 11.476020 0.000000\n0.000000 0.000000 11.841514\nPr Te N\n16 12 8\ndirect\n0.852708 0.610225 0.550412 Pr\n0.647291 0.110225 0.449587 Pr\n0.852708 0.610225 0.949587 Pr\n0.908001 0.339447 0.750000 Pr\n0.352708 0.889775 0.949587 Pr\n0.647291 0.110225 0.050412 Pr\n0.591998 0.839447 0.250000 Pr\n0.726474 0.469751 0.250000 Pr\n0.352708 0.889775 0.550412 Pr\n0.147292 0.389775 0.050412 Pr\n0.408001 0.160553 0.750000 Pr\n0.273525 0.530249 0.750000 Pr\n0.226475 0.030249 0.250000 Pr\n0.091999 0.660553 0.250000 Pr\n0.147292 0.389775 0.449587 Pr\n0.773525 0.969751 0.750000 Pr\n0.434110 0.635154 0.421407 Te\n0.434110 0.635154 0.078593 Te\n0.065889 0.135154 0.578593 Te\n0.934110 0.864846 0.421407 Te\n0.934110 0.864846 0.078593 Te\n0.565889 0.364846 0.921407 Te\n0.081553 0.772909 0.750000 Te\n0.418447 0.272909 0.250000 Te\n0.065889 0.135154 0.921407 Te\n0.565889 0.364846 0.578593 Te\n0.918447 0.227091 0.250000 Te\n0.581553 0.727091 0.750000 Te\n0.553306 0.033392 0.621893 N\n0.053306 0.466608 0.621893 N\n0.553306 0.033392 0.878106 N\n0.446693 0.966608 0.378106 N\n0.946693 0.533392 0.378106 N\n0.946693 0.533392 0.121894 N\n0.446693 0.966608 0.121894 N\n0.053306 0.466608 0.878106 N\n",
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{
"id": "jvasp-88221",
"created_at": "2022-09-04T14:36:11.960896Z",
"updated_at": "2022-09-04T14:36:11.960907Z",
"structure_string": "P16 S12 I8\n1.0\n6.619154 0.000000 0.000000\n0.000000 9.334018 0.000000\n0.000000 0.000000 16.379173\nP S I\n16 12 8\ndirect\n0.454910 0.491162 0.353800 P\n0.045090 0.991162 0.146200 P\n0.199335 0.873219 0.250000 P\n0.699335 0.626781 0.750000 P\n0.741199 0.750645 0.250000 P\n0.454910 0.491162 0.146200 P\n0.241199 0.749356 0.750000 P\n0.758800 0.250645 0.250000 P\n0.954910 0.008838 0.853800 P\n0.545089 0.508839 0.646200 P\n0.258801 0.249355 0.750000 P\n0.954910 0.008838 0.646200 P\n0.300665 0.373219 0.250000 P\n0.800664 0.126781 0.750000 P\n0.045090 0.991162 0.353800 P\n0.545089 0.508839 0.853800 P\n0.250764 0.606573 0.646864 S\n0.249236 0.106572 0.646864 S\n0.456729 0.175098 0.250000 S\n0.956729 0.324902 0.750000 S\n0.749235 0.393428 0.353136 S\n0.043270 0.675098 0.250000 S\n0.749235 0.393428 0.146864 S\n0.250764 0.606573 0.853136 S\n0.543270 0.824902 0.750000 S\n0.249236 0.106572 0.853136 S\n0.750764 0.893428 0.146864 S\n0.750764 0.893428 0.353136 S\n0.230375 0.851732 0.462583 I\n0.730375 0.648269 0.962583 I\n0.269624 0.351732 0.037417 I\n0.269624 0.351732 0.462583 I\n0.769624 0.148269 0.962583 I\n0.769624 0.148269 0.537417 I\n0.230375 0.851732 0.037417 I\n0.730375 0.648269 0.537417 I\n",
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{
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"created_at": "2022-09-04T14:36:32.017805Z",
"updated_at": "2022-09-04T14:36:32.017827Z",
"structure_string": "Al4 Te4 Cl28\n1.0\n6.381655 -0.023744 -0.752371\n-1.127175 8.194025 -0.455226\n0.132808 0.069729 19.340826\nAl Te Cl\n4 4 28\ndirect\n0.307884 0.098354 0.396503 Al\n0.709723 0.334589 0.877226 Al\n0.692117 0.901647 0.603497 Al\n0.290278 0.665412 0.122774 Al\n0.714863 0.274899 0.108893 Te\n0.253060 0.281999 0.619801 Te\n0.285137 0.725102 0.891107 Te\n0.746941 0.718002 0.380199 Te\n0.613700 0.049980 0.367980 Cl\n0.134190 0.966874 0.878733 Cl\n0.381725 0.147528 0.056160 Cl\n0.661219 0.130760 0.804137 Cl\n0.117092 0.163020 0.309053 Cl\n0.624303 0.291116 0.222674 Cl\n0.865408 0.740441 0.270033 Cl\n0.093866 0.715211 0.029033 Cl\n0.829666 0.113553 0.553218 Cl\n0.860847 0.550011 0.832395 Cl\n0.405695 0.587532 0.338063 Cl\n0.112703 0.526114 0.598807 Cl\n0.627227 0.696491 0.524856 Cl\n0.170335 0.886448 0.446782 Cl\n0.139154 0.449990 0.167605 Cl\n0.411185 0.392992 0.909157 Cl\n0.386300 0.950021 0.632020 Cl\n0.882909 0.836981 0.690947 Cl\n0.906134 0.284790 0.970967 Cl\n0.375697 0.708885 0.777326 Cl\n0.588816 0.607009 0.090843 Cl\n0.865811 0.033127 0.121267 Cl\n0.134593 0.259560 0.729967 Cl\n0.338781 0.869241 0.195863 Cl\n0.618275 0.852473 0.943840 Cl\n0.594306 0.412469 0.661937 Cl\n0.887298 0.473887 0.401193 Cl\n0.372774 0.303510 0.475144 Cl\n",
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{
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"structure_string": "Sr4 Ca4 I16\n1.0\n0.000000 7.994232 0.007449\n7.818407 0.000000 0.000000\n0.000000 -4.648660 -16.183599\nSr Ca I\n4 4 16\ndirect\n0.278451 0.054950 0.842525 Sr\n0.278451 0.445050 0.342525 Sr\n0.721549 0.554951 0.657475 Sr\n0.721549 0.945050 0.157475 Sr\n0.198541 0.337393 0.595863 Ca\n0.198541 0.162607 0.095863 Ca\n0.801459 0.837393 0.904137 Ca\n0.801459 0.662607 0.404137 Ca\n0.948181 0.295559 0.419062 I\n0.948181 0.204441 0.919062 I\n0.537062 0.604638 0.233274 I\n0.509861 0.747538 0.480670 I\n0.537062 0.895362 0.733274 I\n0.490139 0.247538 0.019330 I\n0.509861 0.752462 0.980670 I\n0.051819 0.795559 0.080938 I\n0.490139 0.252462 0.519330 I\n0.462938 0.395362 0.766726 I\n0.047723 0.676173 0.819737 I\n0.051819 0.704441 0.580938 I\n0.952276 0.323827 0.180263 I\n0.952277 0.176173 0.680263 I\n0.462938 0.104638 0.266726 I\n0.047723 0.823827 0.319737 I\n",
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{
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{
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"structure_string": "Ba12 Al8 Si12 O48\n1.0\n10.320051 0.000000 -3.648689\n-5.160026 8.937427 -3.648689\n-0.000000 0.000000 10.946068\nBa Al Si O\n12 8 12 48\ndirect\n0.250000 0.375000 0.125000 Ba\n0.250000 0.875000 0.625000 Ba\n0.875000 0.625000 0.250000 Ba\n0.625000 0.875000 0.750000 Ba\n0.875000 0.750000 0.625000 Ba\n0.625000 0.250000 0.875000 Ba\n0.375000 0.750000 0.125000 Ba\n0.750000 0.125000 0.375000 Ba\n0.125000 0.375000 0.750000 Ba\n0.375000 0.125000 0.250000 Ba\n0.125000 0.250000 0.375000 Ba\n0.750000 0.625000 0.875000 Ba\n-0.000000 0.500000 0.500000 Al\n0.500000 -0.000000 0.500000 Al\n0.500000 0.500000 0.500000 Al\n0.500000 -0.000000 -0.000000 Al\n0.000000 0.000000 0.500000 Al\n-0.000000 0.500000 -0.000000 Al\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 -0.000000 Al\n0.625000 0.750000 0.375000 Si\n0.250000 0.125000 0.875000 Si\n0.750000 0.875000 0.125000 Si\n0.375000 0.250000 0.625000 Si\n0.625000 0.375000 0.250000 Si\n0.875000 0.250000 0.125000 Si\n0.875000 0.125000 0.750000 Si\n0.750000 0.375000 0.625000 Si\n0.125000 0.875000 0.250000 Si\n0.375000 0.625000 0.750000 Si\n0.125000 0.750000 0.875000 Si\n0.250000 0.625000 0.375000 Si\n0.195091 0.184532 0.582450 O\n0.315468 0.510560 0.397918 O\n0.989440 0.304909 0.887358 O\n0.102082 0.612642 0.917550 O\n0.184532 0.582451 0.195091 O\n0.184532 0.102082 0.989441 O\n0.582450 0.195091 0.184532 O\n0.612642 0.195091 0.510559 O\n0.684532 0.695091 0.082450 O\n0.917549 0.315468 0.304909 O\n0.804909 0.815469 0.417550 O\n0.112642 0.602083 0.417550 O\n0.695091 0.082450 0.684532 O\n0.082450 0.684532 0.695091 O\n0.010559 0.815469 0.897918 O\n0.804909 0.489441 0.387358 O\n0.417550 0.112642 0.602082 O\n0.387358 0.804909 0.489441 O\n0.897918 0.010559 0.815468 O\n0.602082 0.417550 0.112642 O\n0.112642 0.010559 0.695091 O\n0.387358 0.082450 0.897918 O\n0.082450 0.897918 0.387358 O\n0.489440 0.602083 0.684532 O\n0.602082 0.684532 0.489441 O\n0.695091 0.112642 0.010559 O\n0.489441 0.387358 0.804909 O\n0.304909 0.917550 0.315468 O\n0.417549 0.804909 0.815468 O\n0.815468 0.417550 0.804909 O\n0.989441 0.184532 0.102082 O\n0.195091 0.510560 0.612642 O\n0.582450 0.887359 0.397918 O\n0.102082 0.989441 0.184532 O\n0.510559 0.612642 0.195091 O\n0.397917 0.582451 0.887358 O\n0.887358 0.989441 0.304909 O\n0.815468 0.897918 0.010559 O\n0.612641 0.917550 0.102082 O\n0.510559 0.397918 0.315468 O\n0.397917 0.315468 0.510559 O\n0.304909 0.887359 0.989441 O\n0.315468 0.304909 0.917550 O\n0.684532 0.489441 0.602082 O\n0.010559 0.695091 0.112642 O\n0.897917 0.387358 0.082450 O\n0.917550 0.102082 0.612642 O\n0.887358 0.397918 0.582450 O\n",
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"formula_full": "Ba12 Al8 Si12 O48",
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{
"id": "jvasp-29341",
"created_at": "2022-09-04T14:37:50.581511Z",
"updated_at": "2022-09-04T14:37:50.581529Z",
"structure_string": "Bi4 Au4 Br24\n1.0\n7.266249 -0.009382 -0.544875\n-3.839038 9.580459 -2.790226\n-0.006312 -0.099484 14.532175\nBi Au Br\n4 4 24\ndirect\n0.590789 0.921489 0.620164 Bi\n0.409212 0.078512 0.379837 Bi\n0.977141 0.312427 0.869749 Bi\n0.022859 0.687573 0.130252 Bi\n0.299778 0.635096 0.765486 Au\n0.700223 0.364905 0.234515 Au\n0.500000 0.500000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n0.243941 0.895389 0.030530 Br\n0.734286 0.800164 0.025059 Br\n0.265714 0.199836 0.974941 Br\n0.590053 0.184694 0.738838 Br\n0.759700 0.046573 0.482920 Br\n0.993929 0.057903 0.723948 Br\n0.006071 0.942097 0.276053 Br\n0.756060 0.104611 0.969470 Br\n0.240300 0.953428 0.517080 Br\n0.409948 0.815306 0.261163 Br\n0.214415 0.285822 0.489717 Br\n0.654887 0.581828 0.227853 Br\n0.275998 0.627292 0.493156 Br\n0.724002 0.372709 0.506844 Br\n0.727387 0.436857 0.978518 Br\n0.345113 0.418173 0.772148 Br\n0.049503 0.467723 0.218512 Br\n0.950497 0.532278 0.781488 Br\n0.752646 0.154477 0.249506 Br\n0.247355 0.845523 0.750494 Br\n0.350535 0.258176 0.247748 Br\n0.649466 0.741825 0.752252 Br\n0.785586 0.714179 0.510283 Br\n0.272613 0.563144 0.021482 Br\n",
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}