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{
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"structure_string": "Ca2 Pr2 Fe4 O12\n1.0\n0.000000 5.385300 0.000149\n5.387112 0.000000 0.000000\n0.000000 -5.385176 -7.595858\nCa Pr Fe O\n2 2 4 12\ndirect\n0.243639 0.784050 0.749993 Ca\n0.243639 0.215949 0.249993 Ca\n0.755324 0.278468 0.749992 Pr\n0.755325 0.721532 0.249992 Pr\n-0.000078 0.751010 0.999785 Fe\n0.500338 0.751011 0.500201 Fe\n-0.000078 0.248989 0.499785 Fe\n0.500338 0.248988 0.000201 Fe\n0.816547 0.468772 0.035163 O\n0.192362 0.972526 0.469547 O\n0.753254 0.972523 0.030437 O\n0.308160 0.240622 0.749987 O\n0.684075 0.256491 0.250000 O\n0.192361 0.027473 0.969547 O\n0.816547 0.531227 0.535163 O\n0.753254 0.027476 0.530437 O\n0.246208 0.468768 0.464826 O\n0.308161 0.759378 0.249987 O\n0.246207 0.531232 0.964826 O\n0.684074 0.743509 0.750000 O\n",
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{
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"structure_string": "Zn4 Co2 Sb2 O12\n1.0\n0.000000 5.143325 -0.017472\n7.631298 0.000000 0.000000\n0.000000 0.001578 -5.205582\nZn Co Sb O\n4 2 2 12\ndirect\n0.486298 0.250000 0.555879 Zn\n0.513703 0.750000 0.444120 Zn\n0.988163 0.250000 0.024460 Zn\n0.011838 0.750000 0.975539 Zn\n0.500000 0.500000 -0.000000 Co\n0.500000 0.000000 -0.000000 Co\n0.000000 0.500000 0.500000 Sb\n0.000000 0.000000 0.500000 Sb\n0.326434 0.434158 0.314779 O\n0.614332 0.250000 0.925621 O\n0.673568 0.934158 0.685220 O\n0.128385 0.750000 0.574999 O\n0.183185 0.067059 0.822174 O\n0.816816 0.932941 0.177825 O\n0.183185 0.432941 0.822174 O\n0.326434 0.065842 0.314779 O\n0.871616 0.250000 0.425001 O\n0.673568 0.565842 0.685220 O\n0.816816 0.567060 0.177825 O\n0.385669 0.750000 0.074378 O\n",
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{
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"updated_at": "2022-09-04T14:36:52.253009Z",
"structure_string": "Na4 Ta4 O12\n1.0\n5.526206 -0.025920 -0.000000\n-0.036351 5.526148 0.000000\n-0.000000 0.000000 7.869904\nNa Ta O\n4 4 12\ndirect\n0.503309 0.496692 0.250000 Na\n0.496692 0.503309 0.750000 Na\n0.011631 0.988370 0.250000 Na\n0.988370 0.011631 0.750000 Na\n0.000000 0.500000 0.500000 Ta\n0.500000 -0.000000 0.500000 Ta\n0.500000 -0.000000 0.000000 Ta\n0.000000 0.500000 0.000000 Ta\n0.294895 0.294895 0.500000 O\n0.705106 0.705106 0.000000 O\n0.964921 0.451136 0.750000 O\n0.207186 0.792814 0.959119 O\n0.792815 0.207186 0.459120 O\n0.792815 0.207186 0.040880 O\n0.207186 0.792814 0.540880 O\n0.548865 0.035080 0.750000 O\n0.451136 0.964920 0.250000 O\n0.035080 0.548865 0.250000 O\n0.294895 0.294895 0.000000 O\n0.705106 0.705106 0.500000 O\n",
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{
"id": "jvasp-104012",
"created_at": "2022-09-04T14:36:52.195431Z",
"updated_at": "2022-09-04T14:36:52.195451Z",
"structure_string": "H8 Pb1 C6 S1 O4\n1.0\n4.289546 0.014421 0.315049\n2.121241 4.621675 0.170634\n-0.080894 -0.018050 10.160896\nH Pb C S O\n8 1 6 1 4\ndirect\n0.055210 0.694850 0.318612 H\n0.703966 0.678411 0.412849 H\n0.475216 0.274781 0.436342 H\n0.227514 0.575186 0.539257 H\n0.652090 0.276799 0.744027 H\n0.602532 0.576403 0.640542 H\n0.022312 0.679453 0.767225 H\n0.654391 0.696163 0.861301 H\n0.695248 0.011380 0.090180 Pb\n0.114229 0.339530 0.909318 C\n0.893349 0.546079 0.807676 C\n0.783618 0.404773 0.700585 C\n0.950414 0.338439 0.271127 C\n0.965764 0.544908 0.372496 C\n0.216451 0.403587 0.479693 C\n0.124845 0.153341 0.590513 S\n0.116604 0.089402 0.926203 O\n0.197388 0.088403 0.254357 O\n0.292211 0.428336 0.977648 O\n0.683688 0.427356 0.202836 O\n",
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{
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"structure_string": "Mg4 V2 Bi2 O12\n1.0\n5.497880 0.000000 0.000000\n0.000000 6.697528 -3.027661\n-0.000000 -0.008761 7.350070\nMg V Bi O\n4 2 2 12\ndirect\n0.249999 0.279704 0.104100 Mg\n0.750000 0.720295 0.895899 Mg\n0.249999 0.895899 0.720295 Mg\n0.750000 0.104100 0.279705 Mg\n0.249999 0.802567 0.197433 V\n0.750000 0.197434 0.802567 V\n0.750000 0.594191 0.405810 Bi\n0.249999 0.405810 0.594192 Bi\n0.500000 0.670765 0.670765 O\n0.000000 0.329235 0.329235 O\n0.750000 0.099548 0.547970 O\n0.509423 0.884594 0.115408 O\n0.009424 0.115408 0.884593 O\n0.490576 0.115408 0.884593 O\n0.990577 0.884594 0.115408 O\n0.750000 0.452030 0.900453 O\n0.249999 0.547969 0.099546 O\n0.249999 0.900453 0.452030 O\n0.500000 0.329235 0.329235 O\n0.000000 0.670765 0.670765 O\n",
"nsites": 20,
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{
"id": "jvasp-49918",
"created_at": "2022-09-04T14:37:47.443955Z",
"updated_at": "2022-09-04T14:37:47.443969Z",
"structure_string": "Sm4 Ge10 Ru6\n1.0\n5.866739 -0.000390 -0.000050\n-2.932535 7.990986 0.013196\n-2.933034 -1.805230 7.784298\nSm Ge Ru\n4 10 6\ndirect\n0.731426 0.593205 0.869595 Sm\n0.231440 0.869598 0.593249 Sm\n0.768555 0.130402 0.406750 Sm\n0.268583 0.406795 0.130408 Sm\n0.673519 0.262192 0.084856 Ge\n0.250022 0.790934 0.209045 Ge\n0.173497 0.084871 0.262142 Ge\n0.749963 0.790969 0.209007 Ge\n0.749996 0.499979 0.500023 Ge\n0.250037 0.209029 0.790995 Ge\n0.826501 0.915128 0.737859 Ge\n0.749980 0.209067 0.790953 Ge\n0.326486 0.737808 0.915142 Ge\n0.250007 0.500023 0.499979 Ge\n0.749994 0.000007 0.999995 Ru\n0.093122 0.446356 0.739707 Ru\n0.593159 0.739739 0.446414 Ru\n0.406837 0.260263 0.553587 Ru\n0.906886 0.553646 0.260294 Ru\n0.250007 -0.000007 0.000005 Ru\n",
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"elements": [
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{
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"created_at": "2022-09-04T14:37:51.417610Z",
"updated_at": "2022-09-04T14:37:51.417637Z",
"structure_string": "Li2 Mn2 C4 O12\n1.0\n5.354593 0.007006 -0.237159\n2.669880 6.001510 -0.120894\n2.054511 0.005120 7.635646\nLi Mn C O\n2 2 4 12\ndirect\n0.518278 -0.055352 0.683437 Li\n0.214417 0.552821 0.183408 Li\n0.613283 0.515159 0.500211 Mn\n0.879634 0.982291 0.000247 Mn\n0.350736 0.594939 0.790077 C\n0.918331 0.107775 0.700860 C\n0.696979 0.902496 0.290123 C\n0.777890 0.389519 0.200861 C\n0.923477 0.455865 0.276281 O\n0.526533 0.426979 0.299452 O\n0.955696 0.884224 0.241296 O\n0.591008 0.862976 0.441444 O\n0.905285 0.197049 0.555434 O\n0.704437 0.070471 0.799609 O\n0.591254 0.613105 0.741287 O\n0.274245 0.537978 0.660838 O\n0.563431 0.959593 0.160924 O\n0.205255 0.634439 0.941408 O\n0.130383 0.041446 0.776169 O\n0.854401 0.300099 0.055470 O\n",
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{
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"created_at": "2022-09-04T14:38:03.269041Z",
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"structure_string": "Li5 Fe2 Cu3 O10\n1.0\n5.003388 0.109841 0.075073\n-1.364860 5.034597 -0.118012\n-1.763592 -2.302646 6.959572\nLi Fe Cu O\n5 2 3 10\ndirect\n0.206423 0.909805 0.399862 Li\n0.401094 0.282149 0.789297 Li\n0.500000 0.500000 0.500000 Li\n0.598907 0.717850 0.210703 Li\n0.793578 0.090194 0.600137 Li\n0.100068 0.677814 0.688786 Fe\n0.899933 0.322185 0.311213 Fe\n0.697333 0.884970 0.897474 Cu\n0.302667 0.115029 0.102525 Cu\n0.000000 0.500000 0.000000 Cu\n0.661747 0.339376 0.077117 O\n0.060802 0.017333 0.831057 O\n0.338253 0.660623 0.922882 O\n0.133704 0.325368 0.542811 O\n0.209948 0.528164 0.252304 O\n0.439028 0.874598 0.658977 O\n0.560972 0.125402 0.341022 O\n0.790052 0.471836 0.747696 O\n0.866297 0.674632 0.457188 O\n0.939198 0.982667 0.168942 O\n",
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{
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"structure_string": "Na5 Zr2 F13\n1.0\n5.526555 0.000000 -0.000000\n-2.763278 5.772344 -0.736705\n-0.000000 0.014628 8.468564\nNa Zr F\n5 2 13\ndirect\n0.336517 0.673035 0.071868 Na\n0.777787 0.555574 0.345397 Na\n0.500000 0.000000 0.500000 Na\n0.222213 0.444426 0.654602 Na\n0.663483 0.326965 0.928131 Na\n0.926686 0.853370 0.755192 Zr\n0.073315 0.146629 0.244807 Zr\n0.177026 0.875316 0.250885 F\n0.907108 0.268060 0.431336 F\n0.360953 0.268060 0.431336 F\n0.639047 0.731939 0.568663 F\n0.056789 0.636080 0.856998 F\n0.943211 0.363919 0.143001 F\n0.301709 0.124683 0.749114 F\n0.092892 0.731939 0.568663 F\n0.822975 0.124683 0.749114 F\n0.698291 0.875316 0.250885 F\n0.420709 0.363919 0.143001 F\n0.579291 0.636080 0.856998 F\n0.000000 0.000000 0.000000 F\n",
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"created_at": "2022-09-04T14:37:38.383913Z",
"updated_at": "2022-09-04T14:37:38.383935Z",
"structure_string": "Pr4 Ru4 O12\n1.0\n5.358590 0.000000 0.000000\n0.000000 5.973312 0.000000\n0.000000 0.000000 7.817336\nPr Ru O\n4 4 12\ndirect\n0.026446 0.925598 0.750000 Pr\n0.526446 0.574401 0.250000 Pr\n0.473554 0.425599 0.750000 Pr\n0.973554 0.074401 0.250000 Pr\n0.500000 0.000000 0.500000 Ru\n0.000000 0.500000 0.500000 Ru\n0.000000 0.500000 0.000000 Ru\n0.500000 0.000000 0.000000 Ru\n0.184052 0.197695 0.951189 O\n0.684052 0.302304 0.048812 O\n0.315948 0.697695 0.951189 O\n0.815948 0.802304 0.048812 O\n0.184052 0.197695 0.548812 O\n0.398908 0.966218 0.250000 O\n0.101092 0.466218 0.250000 O\n0.601092 0.033782 0.750000 O\n0.815948 0.802304 0.451188 O\n0.898908 0.533782 0.750000 O\n0.684052 0.302304 0.451188 O\n0.315948 0.697695 0.548812 O\n",
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"formula_full": "Pr4 Ru4 O12",
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{
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"created_at": "2022-09-04T14:37:58.347385Z",
"updated_at": "2022-09-04T14:37:58.347405Z",
"structure_string": "Al4 Bi4 O12\n1.0\n0.000000 7.210851 -0.192953\n5.069294 0.000000 0.000000\n0.000000 -3.740146 -7.423544\nAl Bi O\n4 4 12\ndirect\n0.091819 0.739518 0.508068 Al\n0.091819 0.760481 0.008068 Al\n0.908180 0.239518 0.991931 Al\n0.908180 0.260481 0.491931 Al\n0.297966 0.234436 0.880845 Bi\n0.297966 0.265564 0.380845 Bi\n0.702033 0.734435 0.619154 Bi\n0.702033 0.765564 0.119154 Bi\n0.976863 0.047067 0.838569 O\n0.655544 0.360959 0.470920 O\n0.829659 0.577917 0.900119 O\n0.344455 0.860959 0.029079 O\n0.655543 0.139040 0.970920 O\n0.170339 0.077918 0.599880 O\n0.344455 0.639040 0.529079 O\n0.023136 0.952932 0.161430 O\n0.829660 0.922081 0.400119 O\n0.023135 0.547067 0.661430 O\n0.170340 0.422082 0.099880 O\n0.976863 0.452932 0.338569 O\n",
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{
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"created_at": "2022-09-04T14:37:58.339925Z",
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"structure_string": "Na4 Ta4 O12\n1.0\n0.000000 5.240339 5.240339\n5.240455 -0.000000 5.240339\n0.000000 5.240339 -5.240339\nNa Ta O\n4 4 12\ndirect\n0.000000 0.000000 0.500000 Na\n0.500000 0.000000 0.500000 Na\n0.500000 0.500000 -0.000000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Ta\n0.500000 0.000000 0.000000 Ta\n0.000000 0.500000 0.500000 Ta\n0.000000 0.500000 -0.000000 Ta\n0.069686 0.749999 0.680314 O\n0.680315 0.749999 0.069685 O\n0.069686 0.749999 0.069685 O\n0.930315 0.639370 0.319685 O\n0.069686 0.360629 0.680314 O\n0.319685 0.250000 0.319685 O\n0.930315 0.250000 0.319685 O\n0.319685 0.250000 0.930315 O\n0.680315 0.749999 0.680314 O\n0.680314 0.139370 0.069686 O\n0.930315 0.250000 0.930315 O\n0.319686 0.860629 0.930314 O\n",
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}
]
}