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{
"id": "jvasp-116259",
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"structure_string": "Mg1 Al1 O2\n1.0\n2.511122 -1.589823 0.438248\n2.511122 1.589823 0.438248\n-0.869844 0.000000 5.306917\nMg Al O\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Al\n0.153986 0.153986 0.705981 O\n0.846013 0.846013 0.294020 O\n",
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{
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"structure_string": "Li4 Cr2 Si2 O8\n1.0\n0.000000 4.847260 -0.001012\n6.539081 0.000000 0.000000\n0.000000 -0.001169 -5.215879\nLi Cr Si O\n4 2 2 8\ndirect\n0.993316 0.247711 0.671663 Li\n0.493318 0.252288 0.328334 Li\n0.493318 0.747711 0.328334 Li\n0.993316 0.752288 0.671663 Li\n0.007757 0.000000 0.204800 Cr\n0.507754 0.500000 0.795199 Cr\n0.480162 0.000000 0.835185 Si\n0.980164 0.500000 0.164812 Si\n0.575207 0.000000 0.142596 O\n0.139680 0.000000 0.822304 O\n0.591277 0.209238 0.691055 O\n0.091280 0.290762 0.308945 O\n0.639681 0.500000 0.177695 O\n0.075204 0.500000 0.857403 O\n0.091280 0.709238 0.308945 O\n0.591277 0.790761 0.691055 O\n",
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{
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"updated_at": "2022-09-04T14:37:46.921593Z",
"structure_string": "Sr4 C4 N8\n1.0\n3.949493 0.000000 0.000000\n0.000000 5.433069 0.000000\n0.000000 0.000000 12.451384\nSr C N\n4 4 8\ndirect\n0.250000 0.392061 0.631118 Sr\n0.749999 0.607939 0.368882 Sr\n0.749999 0.892062 0.868882 Sr\n0.250000 0.107939 0.131118 Sr\n0.749999 0.891081 0.622095 C\n0.250000 0.391081 0.877904 C\n0.749999 0.608919 0.122095 C\n0.250000 0.108919 0.377905 C\n0.250000 0.309653 0.424460 N\n0.250000 0.190347 0.924460 N\n0.749999 0.690347 0.575540 N\n0.749999 0.809653 0.075540 N\n0.250000 0.912032 0.327700 N\n0.749999 0.087968 0.672299 N\n0.749999 0.412032 0.172300 N\n0.250000 0.587968 0.827700 N\n",
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{
"id": "jvasp-65141",
"created_at": "2022-09-04T14:36:18.638324Z",
"updated_at": "2022-09-04T14:36:18.638351Z",
"structure_string": "Be1 Ru1 Cl4\n1.0\n0.000000 4.039315 4.039315\n4.039315 0.000000 4.039315\n4.039315 4.039315 0.000000\nBe Ru Cl\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Ru\n0.125651 0.624782 0.624782 Cl\n0.624782 0.624782 0.624782 Cl\n0.624782 0.125651 0.624782 Cl\n0.624782 0.624782 0.125651 Cl\n",
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{
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"created_at": "2022-09-04T14:38:49.739176Z",
"updated_at": "2022-09-04T14:38:49.739194Z",
"structure_string": "Rb2 Cr2 S4 O16\n1.0\n4.857921 -0.004745 -0.004504\n2.440056 8.176793 4.179740\n0.007246 -0.143693 8.607114\nRb Cr S O\n2 2 4 16\ndirect\n0.290420 0.500007 0.249989 Rb\n0.709584 0.499998 0.749961 Rb\n0.500016 -0.000004 0.500002 Cr\n-0.000013 -0.000001 0.000004 Cr\n0.588180 0.806735 0.914293 S\n0.105054 0.806703 0.414300 S\n0.411788 0.193264 0.085712 S\n0.894983 0.193294 0.585703 S\n0.617860 0.155529 0.566584 O\n0.304037 0.066379 0.071891 O\n0.061939 0.817188 0.235689 O\n0.620706 0.817172 0.735694 O\n0.129583 0.066466 0.571801 O\n0.726653 0.155544 0.066562 O\n0.870480 0.933533 0.428219 O\n0.877084 0.358388 0.460708 O\n0.382186 0.844469 0.433397 O\n0.695922 0.933627 0.928104 O\n0.379286 0.182818 0.264315 O\n0.264512 0.358329 0.960695 O\n0.122946 0.641611 0.539299 O\n0.735441 0.641673 0.039326 O\n0.273312 0.844461 -0.066561 O\n-0.061942 0.182812 0.764315 O\n",
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{
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"created_at": "2022-09-04T14:35:52.066752Z",
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"structure_string": "Mn1 Be1 Cl2\n1.0\n-1.727409 1.727409 5.911835\n1.727409 -1.727409 5.911835\n1.727409 1.727409 -5.911835\nMn Be Cl\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Mn\n0.750000 0.250000 0.500000 Be\n0.000000 0.000000 0.000000 Cl\n0.250000 0.750000 0.500000 Cl\n",
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{
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"created_at": "2022-09-04T14:37:41.526600Z",
"updated_at": "2022-09-04T14:37:41.526631Z",
"structure_string": "Li4 V4 F16\n1.0\n0.000000 7.176954 0.026603\n5.055955 0.000000 0.000000\n0.000000 -2.001835 -7.728461\nLi V F\n4 4 16\ndirect\n0.009609 0.797369 0.865187 Li\n0.509609 0.702629 0.865187 Li\n0.490390 0.297370 0.134813 Li\n-0.009610 0.202630 0.134813 Li\n0.769126 0.278588 0.670433 V\n0.269126 0.221412 0.670433 V\n0.730873 0.778587 0.329567 V\n0.230873 0.721412 0.329567 V\n0.261104 0.402310 0.205568 F\n0.761104 0.097689 0.205568 F\n0.472350 0.904625 0.326530 F\n0.168889 0.041564 0.448017 F\n0.972350 0.595374 0.326530 F\n0.668889 0.458436 0.448017 F\n0.331110 0.541564 0.551983 F\n0.238895 0.902310 0.794432 F\n0.831110 0.958435 0.551984 F\n0.527649 0.095374 0.673470 F\n0.617520 0.625354 0.110394 F\n0.738895 0.597689 0.794433 F\n0.382479 0.374645 0.889606 F\n0.882478 0.125354 0.889606 F\n0.027649 0.404625 0.673470 F\n0.117520 0.874645 0.110394 F\n",
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{
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"created_at": "2022-09-04T14:36:45.694041Z",
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"structure_string": "Li2 Mn1 F4\n1.0\n3.804156 -0.007326 -3.703398\n-0.682801 3.742385 -3.703398\n0.006122 0.007326 5.309118\nLi Mn F\n2 1 4\ndirect\n0.250000 0.749999 0.499999 Li\n0.750000 0.249999 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n0.760174 0.760171 -0.000001 F\n0.239827 0.239827 -0.000000 F\n-0.000000 0.500000 0.500000 F\n0.500000 -0.000000 0.500000 F\n",
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{
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"structure_string": "Li4 V4 F20\n1.0\n0.000000 5.211461 -0.117201\n10.097070 0.000000 0.000000\n0.000000 -1.744013 -6.040381\nLi V F\n4 4 20\ndirect\n0.028665 0.735532 0.886269 Li\n0.028665 0.764468 0.386269 Li\n0.971335 0.235532 0.613731 Li\n0.971335 0.264468 0.113731 Li\n0.439301 0.959999 0.738733 V\n0.560700 0.459999 0.761266 V\n0.439300 0.540001 0.238733 V\n0.560700 0.040001 0.261266 V\n0.363962 0.919453 0.031392 F\n0.636038 0.419453 0.468608 F\n0.733005 0.850522 0.807604 F\n0.733005 0.649478 0.307604 F\n0.837704 0.578522 0.812087 F\n0.622052 0.415946 0.085753 F\n0.622052 0.084054 0.585753 F\n0.794673 0.316451 0.814708 F\n0.377948 0.915946 0.414247 F\n0.205328 0.683549 0.185292 F\n0.363962 0.580547 0.531392 F\n0.266995 0.149478 0.192395 F\n0.794672 0.183549 0.314708 F\n0.162296 0.421478 0.187912 F\n0.377948 0.584054 0.914247 F\n0.266996 0.350522 0.692395 F\n0.205328 0.816451 0.685292 F\n0.162297 0.078522 0.687912 F\n0.636039 0.080547 0.968608 F\n0.837704 0.921478 0.312087 F\n",
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{
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"created_at": "2022-09-04T14:35:50.164837Z",
"updated_at": "2022-09-04T14:35:50.164863Z",
"structure_string": "K1 Mg3 O4\n1.0\n4.515680 -0.000000 0.000000\n-0.000000 4.515680 0.000000\n-0.000000 -0.000000 4.515680\nK Mg O\n1 3 4\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n",
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"structure_string": "Rb2 Bi2 C8 S8 N8\n1.0\n6.459106 0.000000 0.000000\n0.000000 7.661090 0.000000\n0.000000 0.000000 11.137638\nRb Bi C S N\n2 2 8 8 8\ndirect\n0.658673 0.000000 0.500000 Rb\n0.341328 0.500000 0.000000 Rb\n0.003163 0.000000 0.000000 Bi\n-0.003163 0.500000 0.500000 Bi\n0.557732 0.539496 0.633313 C\n0.115199 0.799593 0.743253 C\n0.557732 0.460504 0.366687 C\n0.442268 0.039496 0.866687 C\n0.115199 0.200407 0.256747 C\n0.442268 0.960504 0.133313 C\n0.884801 0.700407 0.243253 C\n0.884801 0.299593 0.756747 C\n0.629217 0.086980 0.173510 S\n0.370784 0.586980 0.326490 S\n0.847429 0.658541 0.102368 S\n0.847429 0.341459 0.897632 S\n0.152572 0.158541 0.397632 S\n0.152572 0.841459 0.602369 S\n0.370784 0.413020 0.673510 S\n0.629217 0.913020 0.826490 S\n0.089368 0.773216 0.847368 N\n0.910633 0.726784 0.347368 N\n0.700853 0.372173 0.396587 N\n0.700853 0.627827 0.603413 N\n0.299148 0.127827 0.896587 N\n0.910633 0.273216 0.652633 N\n0.089368 0.226784 0.152632 N\n0.299148 0.872173 0.103413 N\n",
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{
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"created_at": "2022-09-04T14:35:58.216396Z",
"updated_at": "2022-09-04T14:35:58.216423Z",
"structure_string": "Rb2 Nb1 Cl6\n1.0\n6.168630 -0.149041 -3.438499\n-4.004749 5.815964 -0.184498\n-0.102626 0.149041 7.061498\nRb Nb Cl\n2 1 6\ndirect\n0.499999 0.750000 0.249999 Rb\n0.499999 0.250000 0.750000 Rb\n0.000000 0.000000 0.000000 Nb\n-0.000000 0.244103 0.244103 Cl\n-0.000001 0.755896 0.755896 Cl\n-0.000001 0.756007 0.243992 Cl\n0.512014 0.756007 0.756007 Cl\n-0.000001 0.243992 0.756008 Cl\n0.487985 0.243992 0.243992 Cl\n",
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],
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"volume": 249.2940466725691,
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"formula_full": "Rb2 Nb1 Cl6",
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}
]
}