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{
"id": "jvasp-9967",
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"structure_string": "Ca2 Cr4 O8\n1.0\n3.012771 0.000000 0.000000\n-1.506386 4.896517 0.000000\n0.000000 -0.000000 9.938201\nCa Cr O\n2 4 8\ndirect\n0.388465 0.776934 0.750000 Ca\n0.611534 0.223067 0.250000 Ca\n0.864247 0.728498 0.069751 Cr\n0.135751 0.271502 0.930249 Cr\n0.864247 0.728498 0.430249 Cr\n0.135751 0.271502 0.569751 Cr\n0.236889 0.473781 0.393327 O\n0.763109 0.526219 0.606673 O\n0.763109 0.526219 0.893327 O\n0.236889 0.473781 0.106673 O\n0.941868 0.883740 0.250000 O\n0.058131 0.116261 0.750000 O\n0.500000 -0.000000 0.000000 O\n0.500000 -0.000000 0.500000 O\n",
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{
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"structure_string": "Al12 Re2\n1.0\n5.068797 0.002847 0.000000\n-0.704718 5.019570 -0.000000\n-0.000000 -0.000000 9.112579\nAl Re\n12 2\ndirect\n0.324484 0.675516 0.000000 Al\n0.675516 0.324485 0.500000 Al\n0.675516 0.324485 0.000000 Al\n0.324484 0.675516 0.500000 Al\n0.128725 0.128725 0.601480 Al\n0.871275 0.871276 0.101480 Al\n0.128725 0.128725 0.898520 Al\n0.871275 0.871276 0.398520 Al\n0.390830 0.031069 0.250000 Al\n0.609170 0.968932 0.750000 Al\n0.031069 0.390830 0.250000 Al\n0.968932 0.609171 0.750000 Al\n0.546436 0.546436 0.250000 Re\n0.453564 0.453564 0.750000 Re\n",
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{
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"updated_at": "2022-09-04T14:37:12.893135Z",
"structure_string": "Y2 Ni4 O8\n1.0\n5.006478 0.104267 -2.480367\n-1.347012 4.803708 -2.515837\n-0.042397 -0.009564 6.208491\nY Ni O\n2 4 8\ndirect\n0.874998 0.124998 0.749995 Y\n0.125003 0.875003 0.250005 Y\n0.500000 0.000000 0.000000 Ni\n0.500001 0.500001 -0.000000 Ni\n0.000000 0.500001 0.500000 Ni\n0.500000 0.500001 0.500000 Ni\n0.714093 0.526934 0.849476 O\n0.135384 0.822545 0.849476 O\n0.285908 0.473068 0.150524 O\n0.864617 0.177457 0.150524 O\n0.526953 0.135384 0.349479 O\n0.822526 0.714095 0.349479 O\n0.177474 0.285907 0.650521 O\n0.473048 0.864618 0.650521 O\n",
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{
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"created_at": "2022-09-04T14:37:26.973476Z",
"updated_at": "2022-09-04T14:37:26.973501Z",
"structure_string": "Si4 O10\n1.0\n-3.008464 6.344778 2.516483\n3.008464 -6.344778 2.516483\n3.008464 6.344778 -2.516483\nSi O\n4 10\ndirect\n0.566606 0.052919 0.719018 Si\n0.333900 0.847586 0.280981 Si\n0.833901 0.052919 0.986313 Si\n0.066605 0.847586 0.013686 Si\n0.497559 0.997558 0.499999 O\n0.997558 0.997558 0.000000 O\n0.278585 0.828673 0.817065 O\n0.011607 0.461518 0.182934 O\n0.511607 0.828673 0.050088 O\n0.778586 0.461518 0.949911 O\n0.722806 0.918625 0.580793 O\n0.337834 0.142013 0.419206 O\n0.837833 0.918625 0.695820 O\n0.222806 0.142013 0.304180 O\n",
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{
"id": "jvasp-50896",
"created_at": "2022-09-04T14:37:09.219949Z",
"updated_at": "2022-09-04T14:37:09.219972Z",
"structure_string": "Rb6 Sb2 O6\n1.0\n3.938156 5.459462 0.779258\n-3.938156 5.459462 -0.779258\n-0.236216 0.000000 7.684903\nRb Sb O\n6 2 6\ndirect\n0.316104 0.683896 0.648789 Rb\n0.807628 0.807628 0.500000 Rb\n0.192371 0.192372 0.500000 Rb\n0.208242 0.208242 0.000000 Rb\n0.791757 0.791757 -0.000000 Rb\n0.683896 0.316104 0.351211 Rb\n0.280998 0.719002 0.165210 Sb\n0.719001 0.280998 0.834790 Sb\n0.966479 0.033520 0.760284 O\n0.212710 0.511298 0.301951 O\n0.488702 0.787289 0.301951 O\n0.511297 0.212711 0.698049 O\n0.787289 0.488703 0.698049 O\n0.033520 0.966480 0.239716 O\n",
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{
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"created_at": "2022-09-04T14:37:14.758159Z",
"updated_at": "2022-09-04T14:37:14.758179Z",
"structure_string": "Zn2 Sb4 O8\n1.0\n3.315330 -0.002165 -0.002015\n-1.653570 6.382929 -0.585428\n-1.653171 -2.005513 9.917621\nZn Sb O\n2 4 8\ndirect\n0.490340 0.733674 0.238913 Zn\n0.490076 0.233264 0.739201 Zn\n0.694619 0.302983 0.078060 Sb\n0.694061 0.802750 0.577713 Sb\n0.286331 0.164184 0.400400 Sb\n0.285839 0.663960 0.900053 Sb\n0.668072 0.562904 0.765453 O\n0.668525 0.063335 0.265671 O\n0.311901 0.903607 0.712444 O\n0.312406 0.404027 0.212659 O\n0.119394 0.340690 0.890190 O\n0.119546 0.840820 0.390240 O\n0.861145 0.626256 0.087931 O\n0.860860 0.126113 0.587870 O\n",
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"formula_full": "Zn2 Sb4 O8",
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{
"id": "jvasp-9660",
"created_at": "2022-09-04T14:37:27.567664Z",
"updated_at": "2022-09-04T14:37:27.567685Z",
"structure_string": "Mo4 O10\n1.0\n0.000000 3.800100 -0.000071\n3.739131 0.000000 0.000000\n0.000000 -0.000177 -13.044324\nMo O\n4 10\ndirect\n0.999941 0.750000 0.107020 Mo\n0.000058 0.250000 0.892980 Mo\n0.000061 0.250000 0.607019 Mo\n0.999938 0.750000 0.392980 Mo\n-0.000012 0.250000 0.060256 O\n0.000012 0.750000 0.939744 O\n0.000012 0.750000 0.560256 O\n-0.000013 0.250000 0.439743 O\n0.499965 0.750000 0.394582 O\n0.500034 0.250000 0.605418 O\n0.500032 0.250000 0.894582 O\n0.000037 0.250000 0.750000 O\n-0.000038 0.750000 0.250000 O\n0.499967 0.750000 0.105418 O\n",
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{
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"created_at": "2022-09-04T14:37:19.824173Z",
"updated_at": "2022-09-04T14:37:19.824205Z",
"structure_string": "Mg2 Cr4 S8\n1.0\n6.232339 -0.000079 3.598314\n2.077405 5.875946 3.598255\n0.000002 -0.000071 7.196625\nMg Cr S\n2 4 8\ndirect\n0.874991 0.875004 0.875011 Mg\n0.125014 0.124996 0.124992 Mg\n0.500002 0.500012 0.499982 Cr\n0.500000 0.499994 0.999999 Cr\n0.999999 0.499994 0.500009 Cr\n0.499999 1.000000 0.500005 Cr\n0.737211 0.737209 0.737199 S\n0.262786 0.262800 0.711618 S\n0.262786 0.711622 0.262798 S\n0.711624 0.262793 0.262790 S\n0.737202 0.288383 0.737188 S\n0.288377 0.737203 0.737208 S\n0.262787 0.262782 0.262813 S\n0.737228 0.737208 0.288379 S\n",
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{
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"structure_string": "Mn2 Zn2 F10\n1.0\n5.132387 -0.026581 -0.034404\n-1.847515 5.095459 -0.076398\n-2.164922 -2.305402 6.904179\nMn Zn F\n2 2 10\ndirect\n0.997014 -0.000607 -0.000814 Mn\n0.496996 -0.000619 0.499175 Mn\n0.791300 0.518250 0.259274 Zn\n0.202698 0.480515 0.739084 Zn\n0.885317 0.165092 0.768657 F\n0.108641 0.833665 0.229678 F\n0.338222 0.215685 0.615690 F\n0.001103 0.713256 0.824718 F\n0.595426 0.759211 0.953407 F\n0.260308 0.693648 0.549230 F\n0.398570 0.239585 0.044922 F\n0.733622 0.305113 0.449099 F\n0.992899 0.285520 0.173647 F\n0.655763 0.783082 0.382655 F\n",
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"structure_string": "Ca4 Ge2 O8\n1.0\n2.882366 -4.992403 0.000000\n2.882366 4.992403 -0.000000\n0.000000 0.000000 6.859932\nCa Ge O\n4 2 8\ndirect\n0.666668 0.333334 0.631809 Ca\n0.333334 0.666668 0.368191 Ca\n0.000000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.666668 0.333334 0.186267 Ge\n0.333334 0.666668 0.813733 Ge\n0.666668 0.333334 0.935554 O\n0.333334 0.666668 0.064446 O\n0.344407 0.172204 0.296219 O\n0.827797 0.172204 0.296219 O\n0.827798 0.655595 0.296219 O\n0.655595 0.827798 0.703781 O\n0.172204 0.827797 0.703781 O\n0.172204 0.344407 0.703781 O\n",
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"structure_string": "V4 Cu2 S8\n1.0\n6.054126 0.000000 3.495351\n2.018042 5.707884 3.495351\n-0.000000 -0.000000 6.990702\nV Cu S\n4 2 8\ndirect\n0.500000 0.500000 -0.000000 V\n-0.000000 0.500000 0.500000 V\n0.500000 0.500000 0.500000 V\n0.500000 -0.000000 0.500000 V\n0.125000 0.125000 0.125000 Cu\n0.875000 0.874999 0.875000 Cu\n0.256247 0.731261 0.256246 S\n0.743754 0.743753 0.743753 S\n0.256247 0.256246 0.256246 S\n0.743754 0.743753 0.268738 S\n0.268738 0.743753 0.743753 S\n0.256247 0.256246 0.731261 S\n0.731262 0.256246 0.256246 S\n0.743754 0.268738 0.743753 S\n",
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{
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"created_at": "2022-09-04T14:37:27.543123Z",
"updated_at": "2022-09-04T14:37:27.543149Z",
"structure_string": "Cr6 N8\n1.0\n-4.025176 -4.025176 -0.000000\n-4.025176 0.000000 -4.025176\n0.000000 -4.025176 -4.025176\nCr N\n6 8\ndirect\n0.625001 0.125000 0.125000 Cr\n0.375000 0.875001 0.875001 Cr\n0.000000 0.000000 0.500000 Cr\n0.000000 0.500000 0.000000 Cr\n0.000000 0.500000 0.500000 Cr\n0.500000 0.500000 0.500000 Cr\n0.752919 0.741244 0.252919 N\n0.752919 0.252919 0.741244 N\n0.752919 0.252919 0.252919 N\n0.241244 0.252919 0.252919 N\n0.247081 0.258757 0.747082 N\n0.247081 0.747082 0.258757 N\n0.247081 0.747082 0.747082 N\n0.758757 0.747082 0.747082 N\n",
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]
}