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{
"id": "jvasp-9252",
"created_at": "2022-09-04T14:38:11.641024Z",
"updated_at": "2022-09-04T14:38:11.641055Z",
"structure_string": "Mg4 Sn4 O8\n1.0\n3.323118 0.001056 -0.125259\n0.350445 8.353781 -0.233796\n0.320090 2.749427 8.909850\nMg Sn O\n4 4 8\ndirect\n0.247237 0.350941 0.006380 Mg\n0.728523 0.677267 0.973535 Mg\n0.673808 0.123064 0.778702 Mg\n0.301967 0.905133 0.201222 Mg\n0.069844 0.579325 0.291238 Sn\n0.768230 0.204920 0.314712 Sn\n0.207537 0.823286 0.665200 Sn\n0.905914 0.448877 0.688679 Sn\n0.200181 0.588104 0.843632 O\n0.805117 0.810497 0.305328 O\n0.170655 0.217704 0.674595 O\n0.775582 0.440104 0.136281 O\n0.232615 0.741375 0.080801 O\n0.277652 0.143982 0.186340 O\n0.743144 0.286830 0.899116 O\n0.698114 0.884221 0.793572 O\n",
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{
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"structure_string": "Mg2 Co4 S10\n1.0\n3.562566 0.000037 0.000000\n0.000067 6.392597 -0.000962\n0.000006 -0.000976 13.221327\nMg Co S\n2 4 10\ndirect\n0.749994 0.908886 0.249909 Mg\n0.250009 0.091114 0.750099 Mg\n0.250000 0.471414 0.101607 Co\n0.750002 0.528587 0.898393 Co\n0.750002 0.528558 0.601612 Co\n0.249999 0.471441 0.398387 Co\n0.750000 0.361455 0.749990 S\n0.250002 0.638547 0.250010 S\n0.749994 0.655389 0.053410 S\n0.250008 0.344613 0.946589 S\n0.749993 0.655385 0.446631 S\n0.250007 0.344615 0.553369 S\n0.249984 0.163784 0.331853 S\n0.750018 0.836218 0.668145 S\n0.750018 0.836228 0.831893 S\n0.249986 0.163772 0.168105 S\n",
"nsites": 16,
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{
"id": "jvasp-9697",
"created_at": "2022-09-04T14:37:07.610127Z",
"updated_at": "2022-09-04T14:37:07.610151Z",
"structure_string": "Sm4 Cu4 S8\n1.0\n0.000000 6.440344 0.007069\n7.131200 0.000000 0.000000\n0.000000 -0.891927 -6.778079\nSm Cu S\n4 4 8\ndirect\n0.808178 0.951038 0.199117 Sm\n0.191821 0.451038 0.300883 Sm\n0.191821 0.048962 0.800883 Sm\n0.808178 0.548962 0.699117 Sm\n0.422864 0.661757 0.949755 Cu\n0.577135 0.338243 0.050245 Cu\n0.577134 0.161757 0.550245 Cu\n0.422865 0.838243 0.449755 Cu\n0.079521 0.726042 0.999393 S\n0.920478 0.226042 0.500607 S\n0.920478 0.273958 0.000607 S\n0.079521 0.773958 0.499393 S\n0.406800 0.113151 0.218815 S\n0.406799 0.386849 0.718815 S\n0.593199 0.886849 0.781185 S\n0.593200 0.613151 0.281185 S\n",
"nsites": 16,
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"formula_full": "Sm4 Cu4 S8",
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{
"id": "jvasp-12617",
"created_at": "2022-09-04T14:37:07.612246Z",
"updated_at": "2022-09-04T14:37:07.612261Z",
"structure_string": "Na4 Co2 Ge2 O8\n1.0\n5.377936 0.000000 0.000000\n0.000000 6.234499 0.000000\n0.000000 0.000000 6.445467\nNa Co Ge O\n4 2 2 8\ndirect\n0.011540 0.664480 0.747782 Na\n0.511541 0.335520 0.247782 Na\n0.511541 0.335520 0.752219 Na\n0.011540 0.664480 0.252219 Na\n0.005414 0.152699 0.000000 Co\n0.505414 0.847301 0.500000 Co\n0.499317 0.847886 0.000000 Ge\n-0.000684 0.152114 0.500000 Ge\n0.668229 0.125124 0.500000 O\n0.168229 0.874876 0.000000 O\n0.141841 0.894195 0.500000 O\n0.641842 0.105805 0.000000 O\n0.581060 0.697317 0.769809 O\n0.581060 0.697317 0.230192 O\n0.081060 0.302683 0.269809 O\n0.081060 0.302683 0.730192 O\n",
"nsites": 16,
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"volume": 216.1083653976412,
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{
"id": "jvasp-13125",
"created_at": "2022-09-04T14:37:12.412790Z",
"updated_at": "2022-09-04T14:37:12.412816Z",
"structure_string": "U4 Pd12\n1.0\n2.919478 -5.056684 0.000000\n2.919478 5.056684 0.000000\n0.000000 -0.000000 9.672851\nU Pd\n4 12\ndirect\n0.000000 0.000000 0.000000 U\n0.000000 0.000000 0.500000 U\n0.333333 0.666667 0.250000 U\n0.666667 0.333333 0.750000 U\n0.000000 0.500000 0.000000 Pd\n0.500000 0.000000 0.500000 Pd\n0.500000 0.500000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n0.500000 0.000000 0.000000 Pd\n0.000000 0.500000 0.500000 Pd\n0.344384 0.172193 0.250000 Pd\n0.172193 0.344384 0.750000 Pd\n0.172193 0.827808 0.750000 Pd\n0.827808 0.172193 0.250000 Pd\n0.827808 0.655617 0.250000 Pd\n0.655617 0.827808 0.750000 Pd\n",
"nsites": 16,
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"volume": 285.59823247160546,
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"spacegroup": 194
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{
"id": "jvasp-34651",
"created_at": "2022-09-04T14:37:07.631379Z",
"updated_at": "2022-09-04T14:37:07.631399Z",
"structure_string": "K2 Sb2 F12\n1.0\n5.241645 -0.000000 0.000000\n-0.000000 5.241645 0.000000\n0.000000 0.000000 9.725017\nK Sb F\n2 2 12\ndirect\n0.500000 0.500000 0.750000 K\n0.500000 0.500000 0.250000 K\n0.000000 0.000000 0.000000 Sb\n0.000000 0.000000 0.500000 Sb\n0.816169 0.183832 0.138470 F\n0.816169 0.816169 0.361530 F\n0.260256 0.739744 0.500000 F\n0.183832 0.183832 0.361530 F\n0.183832 0.816169 0.861530 F\n0.816169 0.816169 0.638471 F\n0.260256 0.260256 0.000000 F\n0.739744 0.260256 0.500000 F\n0.183832 0.183832 0.638471 F\n0.183832 0.816169 0.138470 F\n0.816169 0.183832 0.861530 F\n0.739744 0.739744 0.000000 F\n",
"nsites": 16,
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],
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"density_atomic": 0.05988173914203796,
"volume": 267.1933084984123,
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"formula_full": "K2 Sb2 F12",
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},
{
"id": "jvasp-29556",
"created_at": "2022-09-04T14:37:12.299733Z",
"updated_at": "2022-09-04T14:37:12.299749Z",
"structure_string": "Ga8 Se8\n1.0\n3.806824 -0.000000 -0.000000\n-1.903412 3.296806 0.000000\n-0.000000 0.000000 32.237122\nGa Se\n8 8\ndirect\n0.333333 0.666668 0.212570 Ga\n0.000000 0.000000 0.539285 Ga\n0.666667 0.333333 0.712570 Ga\n0.000000 0.000000 0.039285 Ga\n0.333333 0.666668 0.288739 Ga\n0.666667 0.333333 0.788739 Ga\n0.000000 0.000000 0.963125 Ga\n0.000000 0.000000 0.463125 Ga\n0.000000 0.000000 0.676236 Se\n0.666667 0.333333 0.926763 Se\n0.666667 0.333333 0.075665 Se\n0.000000 0.000000 0.325117 Se\n0.000000 0.000000 0.176236 Se\n0.333333 0.666668 0.575665 Se\n0.000000 0.000000 0.825117 Se\n0.333333 0.666668 0.426763 Se\n",
"nsites": 16,
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{
"id": "jvasp-34732",
"created_at": "2022-09-04T14:37:07.625097Z",
"updated_at": "2022-09-04T14:37:07.625111Z",
"structure_string": "H8 C2 N4 O2\n1.0\n5.029093 0.000000 0.000000\n0.000000 5.029093 -0.000000\n0.000000 0.000000 5.623888\nH C N O\n8 2 4 2\ndirect\n0.830399 0.000000 0.107460 H\n0.500000 0.669600 0.107460 H\n0.669600 0.500000 0.892540 H\n0.000000 0.169600 0.892540 H\n0.330400 0.500000 0.892540 H\n0.169600 0.000000 0.107460 H\n0.500000 0.330400 0.107460 H\n0.000000 0.830399 0.892540 H\n0.500000 0.000000 0.495002 C\n0.000000 0.500000 0.504998 C\n0.000000 0.500000 0.719184 N\n0.500000 0.000000 0.280816 N\n0.000000 0.000000 0.000000 N\n0.500000 0.500000 0.000000 N\n0.000000 0.500000 0.290139 O\n0.500000 0.000000 0.709861 O\n",
"nsites": 16,
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{
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"created_at": "2022-09-04T14:37:12.323074Z",
"updated_at": "2022-09-04T14:37:12.323090Z",
"structure_string": "Mg2 Cr4 O10\n1.0\n3.313289 0.000000 0.000000\n-0.000000 4.743006 0.000000\n0.000000 0.000000 11.476654\nMg Cr O\n2 4 10\ndirect\n0.750000 0.859704 0.250000 Mg\n0.249999 0.140296 0.750000 Mg\n0.249999 0.406333 0.100537 Cr\n0.750000 0.593666 0.899463 Cr\n0.750000 0.593666 0.600536 Cr\n0.249999 0.406333 0.399463 Cr\n0.750000 0.424560 0.750000 O\n0.249999 0.575440 0.250000 O\n0.750000 0.568766 0.071224 O\n0.249999 0.431235 0.928774 O\n0.750000 0.568766 0.428775 O\n0.249999 0.431235 0.571225 O\n0.249999 0.065752 0.361379 O\n0.750000 0.934250 0.638621 O\n0.750000 0.934250 0.861378 O\n0.249999 0.065752 0.138622 O\n",
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{
"id": "jvasp-10874",
"created_at": "2022-09-04T14:37:07.683224Z",
"updated_at": "2022-09-04T14:37:07.683249Z",
"structure_string": "Sm4 Cu4 Se8\n1.0\n0.000000 6.665754 0.009281\n7.427695 0.000000 0.000000\n0.000000 -0.795561 -7.120023\nSm Cu Se\n4 4 8\ndirect\n0.306029 0.544033 0.700630 Sm\n0.693971 0.044033 0.799369 Sm\n0.693971 0.455967 0.299369 Sm\n0.306029 0.955968 0.200631 Sm\n0.930182 0.839781 0.455279 Cu\n0.069817 0.160220 0.544721 Cu\n0.930182 0.660220 0.955279 Cu\n0.069817 0.339780 0.044721 Cu\n0.576608 0.724192 0.998700 Se\n0.576607 0.775809 0.498700 Se\n0.423392 0.224191 0.501300 Se\n0.423392 0.275809 0.001300 Se\n0.100987 0.610585 0.282522 Se\n0.899012 0.110584 0.217478 Se\n0.899012 0.389416 0.717478 Se\n0.100987 0.889416 0.782522 Se\n",
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{
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"structure_string": "Rb4 V2 Cu2 S8\n1.0\n5.308064 0.000000 1.234191\n2.654031 6.629382 0.617096\n0.021619 0.000000 11.938693\nRb V Cu S\n4 2 2 8\ndirect\n0.053625 0.250000 0.892749 Rb\n0.696375 0.250000 0.607251 Rb\n0.303625 0.750000 0.392749 Rb\n0.946374 0.750000 0.107251 Rb\n0.874999 0.250000 0.250000 V\n0.125000 0.750000 0.750000 V\n0.625000 0.750000 0.750000 Cu\n0.375000 0.250000 0.250000 Cu\n0.397032 0.558788 0.858028 S\n0.313848 0.941212 0.641973 S\n0.044180 0.558788 0.641972 S\n0.744940 0.941212 0.858028 S\n0.255060 0.058788 0.141972 S\n0.686152 0.058788 0.358027 S\n0.955819 0.441212 0.358028 S\n0.602967 0.441212 0.141972 S\n",
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{
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"created_at": "2022-09-04T14:37:12.559845Z",
"updated_at": "2022-09-04T14:37:12.559873Z",
"structure_string": "Hf6 N4 O6\n1.0\n-3.996384 -0.008639 0.000440\n1.986560 5.297025 0.004545\n-0.001158 -0.112820 -10.619603\nHf N O\n6 4 6\ndirect\n0.816392 0.633413 0.751208 Hf\n0.855808 0.712236 0.059367 Hf\n0.863389 0.727446 0.444174 Hf\n0.191977 0.384568 0.250631 Hf\n0.143043 0.286681 0.944119 Hf\n0.137196 0.275011 0.559959 Hf\n0.700331 0.401267 0.920680 N\n0.953718 0.908246 0.615447 N\n0.296031 0.592723 0.425275 N\n0.299448 0.599513 0.080339 N\n0.689837 0.380301 0.580120 O\n0.751474 0.503575 0.248183 O\n0.954766 0.910095 0.887507 O\n0.246470 0.493559 0.742443 O\n0.044242 0.089121 0.115241 O\n0.042549 0.085575 0.379653 O\n",
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}
]
}