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{
"id": "jvasp-34537",
"created_at": "2022-09-04T14:37:08.405342Z",
"updated_at": "2022-09-04T14:37:08.405361Z",
"structure_string": "Zn8 S8\n1.0\n1.919411 -3.324518 0.000000\n1.919411 3.324518 -0.000000\n-0.000000 -0.000000 25.156879\nZn S\n8 8\ndirect\n0.666667 0.333333 0.125092 Zn\n0.000000 0.000000 0.000372 Zn\n0.333333 0.666667 0.624835 Zn\n0.333333 0.666667 0.875338 Zn\n0.000000 0.000000 0.750101 Zn\n0.666667 0.333333 0.375141 Zn\n0.000000 0.000000 0.499857 Zn\n0.333333 0.666667 0.250075 Zn\n0.333333 0.666667 0.343791 S\n0.333333 0.666667 0.969024 S\n0.666667 0.333333 0.218606 S\n0.000000 0.000000 0.593371 S\n0.000000 0.000000 0.093859 S\n0.000000 0.000000 0.843774 S\n0.666667 0.333333 0.468624 S\n0.333333 0.666667 0.718540 S\n",
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{
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"structure_string": "Cu4 O4\n1.0\n6.465965 -0.293517 -0.501755\n-5.549945 3.330610 -0.501755\n0.088528 0.293517 6.484800\nCu O\n4 4\ndirect\n0.415387 0.915388 0.830775 Cu\n0.084613 0.915388 0.500001 Cu\n0.415387 0.584613 0.500001 Cu\n0.084612 0.584613 0.169226 Cu\n0.521263 0.750000 0.771263 O\n0.250001 0.021262 0.771262 O\n0.250000 0.478737 0.228739 O\n0.978738 0.749999 0.228739 O\n",
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{
"id": "jvasp-26779",
"created_at": "2022-09-04T14:38:30.673620Z",
"updated_at": "2022-09-04T14:38:30.673655Z",
"structure_string": "Os4 Cl16 O4\n1.0\n0.000000 9.211480 -0.049334\n5.555295 0.000000 0.000000\n0.000000 -3.968438 -11.182040\nOs Cl O\n4 16 4\ndirect\n0.230145 0.604681 0.968604 Os\n0.769855 0.395318 0.031395 Os\n0.769855 0.104681 0.531395 Os\n0.230145 0.895318 0.468604 Os\n0.895397 0.688561 0.162227 Cl\n0.461489 0.746299 0.586664 Cl\n0.895397 0.811438 0.662227 Cl\n0.728264 0.690469 0.890501 Cl\n0.538510 0.246299 0.913336 Cl\n0.461490 0.753700 0.086664 Cl\n0.300225 0.753060 0.314308 Cl\n0.271736 0.190469 0.609498 Cl\n0.699775 0.246939 0.685691 Cl\n0.104603 0.188561 0.337773 Cl\n0.104603 0.311438 0.837773 Cl\n0.538510 0.253700 0.413336 Cl\n0.728264 0.809530 0.390501 Cl\n0.300225 0.746939 0.814308 Cl\n0.699775 0.253060 0.185691 Cl\n0.271736 0.309530 0.109498 Cl\n0.904386 0.293058 0.514592 O\n0.904387 0.206941 0.014592 O\n0.095613 0.793058 0.985408 O\n0.095613 0.706941 0.485408 O\n",
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{
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"created_at": "2022-09-04T14:38:32.699726Z",
"updated_at": "2022-09-04T14:38:32.699758Z",
"structure_string": "H6 Pb1 C1 I3 N1\n1.0\n6.354692 0.000341 0.095357\n-0.000018 6.290642 -0.000397\n0.096862 0.000010 6.388279\nH Pb C I N\n6 1 1 3 1\ndirect\n0.423496 0.499856 0.277048 H\n0.305156 0.643295 0.494044 H\n0.305142 0.356626 0.494147 H\n0.688810 0.634009 0.513603 H\n0.688802 0.365861 0.513690 H\n0.581650 0.500028 0.715438 H\n0.954741 0.999908 0.981867 Pb\n0.392746 0.499932 0.446872 C\n0.911627 0.999941 0.479387 I\n0.922743 0.499905 0.017545 I\n0.441417 0.999860 0.939976 I\n0.599445 0.499958 0.553518 N\n",
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{
"id": "jvasp-68940",
"created_at": "2022-09-04T14:36:15.198887Z",
"updated_at": "2022-09-04T14:36:15.198917Z",
"structure_string": "Ba2 Na1 Cu1\n1.0\n-0.000000 4.205342 4.205342\n4.205342 -0.000000 4.205342\n4.205342 4.205342 -0.000000\nBa Na Cu\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Cu\n",
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{
"id": "jvasp-115114",
"created_at": "2022-09-04T14:38:41.741143Z",
"updated_at": "2022-09-04T14:38:41.741173Z",
"structure_string": "Sc1 I1 O1\n1.0\n4.680939 -0.000000 0.000000\n-2.340469 4.053812 0.000000\n-0.000000 -0.000000 4.077034\nSc I O\n1 1 1\ndirect\n0.666668 0.333333 0.000000 Sc\n0.000000 0.000000 0.000000 I\n0.333334 0.666666 0.000000 O\n",
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},
{
"id": "jvasp-102561",
"created_at": "2022-09-04T14:36:47.551928Z",
"updated_at": "2022-09-04T14:36:47.551950Z",
"structure_string": "Sr6 Er2\n1.0\n7.958379 -0.000000 0.000000\n-3.979189 6.892158 0.000000\n-0.000000 -0.000000 6.458713\nSr Er\n6 2\ndirect\n0.171558 0.343116 0.250000 Sr\n0.656884 0.828442 0.250000 Sr\n0.171558 0.828442 0.250000 Sr\n0.828442 0.656884 0.750000 Sr\n0.343116 0.171558 0.750000 Sr\n0.828442 0.171558 0.750000 Sr\n0.333333 0.666667 0.750000 Er\n0.666667 0.333333 0.250000 Er\n",
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"volume": 354.2630270056897,
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"formula_full": "Sr6 Er2",
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{
"id": "jvasp-22582",
"created_at": "2022-09-04T14:37:00.340383Z",
"updated_at": "2022-09-04T14:37:00.340409Z",
"structure_string": "Zn3 S3\n1.0\n3.768833 0.004571 8.936394\n1.811034 3.305190 8.936394\n0.007705 0.004571 9.698617\nZn S\n3 3\ndirect\n0.999991 0.999991 0.999991 Zn\n0.222337 0.222337 0.222337 Zn\n0.444611 0.444611 0.444611 Zn\n0.083215 0.083215 0.083215 S\n0.527811 0.527811 0.527812 S\n0.305360 0.305360 0.305360 S\n",
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"volume": 120.42532709666972,
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{
"id": "jvasp-22908",
"created_at": "2022-09-04T14:38:05.601756Z",
"updated_at": "2022-09-04T14:38:05.601795Z",
"structure_string": "Sr10 P6 S1 O24\n1.0\n4.928442 -8.536311 -0.000000\n4.928442 8.536311 0.000000\n-0.000000 0.000000 7.234360\nSr P S O\n10 6 1 24\ndirect\n0.243536 0.985941 0.742321 Sr\n0.014059 0.257596 0.742321 Sr\n0.742404 0.756464 0.742321 Sr\n0.985941 0.742404 0.257679 Sr\n0.756464 0.014059 0.257679 Sr\n0.257596 0.243536 0.257679 Sr\n0.333333 0.666667 0.481017 Sr\n0.666667 0.333333 0.518983 Sr\n0.333333 0.666667 0.978880 Sr\n0.666667 0.333333 0.021120 Sr\n0.601314 0.630342 0.247257 P\n0.029028 0.398685 0.247257 P\n0.630342 0.029028 0.752743 P\n0.970971 0.601314 0.752743 P\n0.398685 0.369657 0.752743 P\n0.369657 0.970972 0.247257 P\n0.000000 0.000000 0.500000 S\n0.577702 0.465198 0.794611 O\n0.520119 0.848947 0.738755 O\n0.689542 0.754849 0.094363 O\n0.151052 0.671172 0.738755 O\n0.479880 0.151052 0.261245 O\n0.671172 0.520119 0.261245 O\n0.848947 0.328828 0.261245 O\n0.422297 0.534801 0.205389 O\n0.465198 0.887496 0.205389 O\n0.887496 0.422297 0.794611 O\n0.534801 0.112504 0.794611 O\n0.900308 0.618584 0.568695 O\n0.934693 0.689542 0.905637 O\n0.310458 0.245151 0.905637 O\n0.754849 0.065307 0.905637 O\n0.099692 0.381416 0.431305 O\n0.618584 0.718276 0.431305 O\n0.281724 0.900308 0.431305 O\n0.112504 0.577702 0.205389 O\n0.381416 0.281724 0.568695 O\n0.718276 0.099692 0.568695 O\n0.328828 0.479880 0.738755 O\n0.065307 0.310458 0.094363 O\n0.245151 0.934693 0.094363 O\n",
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"formula_anonymous": "AB6C10D24",
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{
"id": "jvasp-9270",
"created_at": "2022-09-04T14:38:32.010200Z",
"updated_at": "2022-09-04T14:38:32.010231Z",
"structure_string": "Mg4 Cr4 O8\n1.0\n2.908754 -0.293593 -0.201409\n-0.518660 8.847220 0.864092\n0.561294 0.721494 7.008191\nMg Cr O\n4 4 8\ndirect\n0.433723 0.901323 0.282508 Mg\n0.541229 0.117124 0.751832 Mg\n0.587954 0.210538 0.206003 Mg\n0.386943 0.807852 0.818219 Mg\n-0.211858 0.609892 0.566194 Cr\n0.778595 0.591718 0.161525 Cr\n0.201015 0.436062 0.860202 Cr\n0.182948 0.400830 0.458099 Cr\n0.610620 0.255761 0.490710 O\n0.784357 0.603125 0.859937 O\n0.194539 0.423229 0.176894 O\n0.361988 0.758056 0.538928 O\n-0.033389 0.967542 0.788105 O\n0.352176 0.739191 0.120583 O\n0.009198 0.052625 0.239001 O\n0.626047 0.285794 0.906875 O\n",
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{
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"created_at": "2022-09-04T14:38:44.623489Z",
"updated_at": "2022-09-04T14:38:44.623516Z",
"structure_string": "Li5 Mn7 O15\n1.0\n5.572635 0.093730 1.622482\n2.471629 4.995408 1.622482\n0.054592 0.034537 9.857235\nLi Mn O\n5 7 15\ndirect\n0.816998 0.816997 0.069218 Li\n0.244262 0.244262 0.239099 Li\n0.300956 0.300956 0.589600 Li\n0.683350 0.683350 0.433995 Li\n0.185232 0.185233 0.934087 Li\n0.247078 0.746522 0.751633 Mn\n0.746826 0.746826 0.751676 Mn\n0.746521 0.247079 0.751633 Mn\n-0.000341 -0.000340 0.495541 Mn\n0.767754 0.248459 0.241115 Mn\n0.248459 0.767755 0.241115 Mn\n0.494112 0.494111 0.005180 Mn\n0.615055 0.615055 0.645693 O\n0.840153 0.392359 0.868402 O\n0.653449 0.101045 0.633060 O\n0.878791 0.878792 0.857547 O\n0.101044 0.653450 0.633060 O\n0.102375 0.102376 0.631437 O\n0.614359 0.164273 0.131561 O\n0.872888 0.335268 0.377309 O\n0.116486 0.116486 0.133620 O\n0.335267 0.872888 0.377309 O\n0.164272 0.614359 0.131561 O\n0.392358 0.840153 0.868402 O\n0.604940 0.604940 0.137261 O\n0.892360 0.892360 0.365483 O\n0.391568 0.391569 0.870441 O\n",
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{
"id": "jvasp-22618",
"created_at": "2022-09-04T14:38:11.755203Z",
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"structure_string": "Zn2 S2\n1.0\n3.834978 0.000000 0.000000\n-1.917489 3.321189 0.000000\n0.000000 0.000000 6.303831\nZn S\n2 2\ndirect\n0.333333 0.666667 0.000611 Zn\n0.666667 0.333333 0.500610 Zn\n0.333333 0.666667 0.374389 S\n0.666667 0.333333 0.874389 S\n",
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}
]
}