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{
"id": "jvasp-52445",
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"structure_string": "Fe2 Te4 H3 Cl1 O12\n1.0\n5.123516 0.021333 0.042430\n1.531598 6.554825 0.008354\n1.759999 2.309268 8.516827\nFe Te H Cl O\n2 4 3 1 12\ndirect\n0.723164 0.148334 0.446380 Fe\n0.276837 0.851666 0.553620 Fe\n0.886232 0.663120 0.309913 Te\n0.113769 0.336879 0.690087 Te\n0.658300 0.830405 0.835304 Te\n0.341702 0.169594 0.164696 Te\n0.558413 0.534950 0.209588 H\n0.441589 0.465049 0.790412 H\n0.000000 0.500000 -0.000000 H\n0.000000 0.000000 0.000000 Cl\n0.112170 0.041095 0.352327 O\n0.887832 0.958904 0.647673 O\n0.545899 0.290036 0.261430 O\n0.454102 0.709963 0.738570 O\n0.407156 0.315859 0.808659 O\n0.808188 0.406700 0.463734 O\n0.363441 0.132454 0.588620 O\n0.636560 0.867546 0.411379 O\n0.191814 0.593299 0.536265 O\n0.899196 0.565300 0.880037 O\n0.592846 0.684140 0.191340 O\n0.100806 0.434699 0.119962 O\n",
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{
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"structure_string": "Sr4 Mn2 Cu2 S2 O6\n1.0\n3.877164 0.000000 -0.000000\n-0.000000 3.877164 -0.000000\n0.000000 0.000000 15.832524\nSr Mn Cu S O\n4 2 2 2 6\ndirect\n0.500000 0.000000 0.184270 Sr\n0.000000 0.500000 0.815730 Sr\n0.500000 0.000000 0.413700 Sr\n0.000000 0.500000 0.586300 Sr\n0.000000 0.500000 0.305932 Mn\n0.500000 0.000000 0.694068 Mn\n0.500000 0.500000 0.000000 Cu\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.092040 S\n0.500000 0.000000 0.907960 S\n0.500000 0.500000 0.288580 O\n0.000000 0.000000 0.288580 O\n0.000000 0.000000 0.711420 O\n0.500000 0.500000 0.711420 O\n0.000000 0.500000 0.430437 O\n0.500000 0.000000 0.569563 O\n",
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{
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"updated_at": "2022-09-04T14:37:13.597697Z",
"structure_string": "Te2 Mo1 W3 Se2 S4\n1.0\n3.323075 0.000000 0.000000\n-1.661537 2.877807 0.001377\n0.000000 0.020318 36.708464\nTe Mo W Se S\n2 1 3 2 4\ndirect\n0.333076 0.666154 0.709695 Te\n0.333648 0.667299 0.605358 Te\n0.333302 0.666606 0.093938 Mo\n0.333275 0.666551 0.469546 W\n0.666713 0.333423 0.281798 W\n0.666695 0.333387 0.657763 W\n0.333122 0.666245 0.327638 Se\n0.333613 0.667226 0.235891 Se\n0.666887 0.333770 0.052660 S\n0.666844 0.333685 0.427654 S\n0.666441 0.332879 0.135531 S\n0.666394 0.332785 0.511277 S\n",
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{
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"updated_at": "2022-09-04T14:37:19.794948Z",
"structure_string": "Li4 Cr3 Co3 Sn2 O16\n1.0\n5.778047 -0.029376 0.015144\n-2.890226 5.034179 0.004075\n-0.099460 -0.065086 9.589062\nLi Cr Co Sn O\n4 3 3 2 16\ndirect\n0.664067 0.332025 0.892078 Li\n0.007946 0.003911 0.993932 Li\n0.005118 0.002610 0.495394 Li\n0.331558 0.665776 0.398044 Li\n0.830148 0.172122 0.215395 Cr\n0.830150 0.657963 0.215398 Cr\n0.657406 0.828718 0.715142 Cr\n0.171339 0.339708 0.714595 Co\n0.171341 0.831645 0.714597 Co\n0.341793 0.170864 0.214720 Co\n0.664110 0.332069 0.495730 Sn\n0.330332 0.665125 0.990886 Sn\n0.684453 0.842187 0.102284 O\n0.158205 0.315875 0.103339 O\n0.327592 0.663794 0.608883 O\n0.483491 0.969685 0.834231 O\n0.483513 0.513805 0.834212 O\n0.312790 0.156399 0.605407 O\n0.512755 0.481889 0.334634 O\n0.969943 0.484943 0.336854 O\n0.842616 0.686996 0.603114 O\n0.004809 0.002417 0.806893 O\n0.003996 0.001970 0.307471 O\n0.665324 0.332630 0.105342 O\n0.031614 0.515816 0.828132 O\n0.842597 0.155654 0.603133 O\n0.512773 0.030844 0.334643 O\n0.158213 0.842244 0.103354 O\n",
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"structure_string": "K2 Na1 V1 O1 F5\n1.0\n5.080995 0.028838 2.909968\n1.700462 4.809633 2.945287\n-0.020392 0.028838 5.855254\nK Na V O F\n2 1 1 1 5\ndirect\n0.255170 0.244830 0.255170 K\n0.755171 0.744830 0.755170 K\n0.503600 0.496400 0.503600 Na\n0.018775 0.981224 0.018776 V\n0.220906 0.779094 0.220906 O\n0.226291 0.239271 0.760729 F\n0.760730 0.239271 0.226291 F\n0.226291 0.773709 0.760729 F\n0.760730 0.773709 0.226291 F\n0.772339 0.227662 0.772338 F\n",
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{
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"created_at": "2022-09-04T14:37:53.684467Z",
"updated_at": "2022-09-04T14:37:53.684493Z",
"structure_string": "Li4 Mn2 Sn2 P4 O16\n1.0\n0.000000 4.828883 -0.029022\n6.354854 0.000000 0.000000\n0.000000 -0.053279 -11.069897\nLi Mn Sn P O\n4 2 2 4 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.564987 0.250000 0.208162 Mn\n0.435012 0.750000 0.791838 Mn\n0.026976 0.750000 0.279745 Sn\n0.973023 0.250000 0.720255 Sn\n0.413713 0.250000 0.925555 P\n0.853200 0.750000 0.606268 P\n0.146799 0.250000 0.393732 P\n0.586286 0.750000 0.074445 P\n0.288566 0.052104 0.859382 O\n0.288566 0.447896 0.859382 O\n0.708580 0.555984 0.667416 O\n0.708580 0.944015 0.667416 O\n0.168304 0.750000 0.621250 O\n0.249941 0.250000 0.526720 O\n0.750058 0.750000 0.473280 O\n0.267793 0.750000 0.076434 O\n0.291419 0.055985 0.332584 O\n0.291419 0.444015 0.332584 O\n0.711434 0.552104 0.140618 O\n0.711434 0.947895 0.140618 O\n0.732206 0.250000 0.923566 O\n0.286913 0.250000 0.054725 O\n0.831695 0.250000 0.378751 O\n0.713086 0.750000 0.945275 O\n",
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"structure_string": "Li2 Mn2 P2 H4 O10\n1.0\n4.685520 0.000000 0.000000\n0.000000 5.744080 0.000000\n0.000000 0.000000 7.951426\nLi Mn P H O\n2 2 2 4 10\ndirect\n0.089075 0.000000 0.448810 Li\n0.589075 0.500000 0.551190 Li\n0.027704 0.000000 0.977739 Mn\n0.527704 0.500000 0.022261 Mn\n0.593733 0.000000 0.236300 P\n0.093732 0.500000 0.763701 P\n0.066594 0.636419 0.212917 H\n0.566594 0.863581 0.787083 H\n0.566594 0.136419 0.787083 H\n0.066594 0.363581 0.212917 H\n0.222388 0.714935 0.860803 O\n0.264081 0.000000 0.222744 O\n0.687985 0.000000 0.420461 O\n0.695059 0.000000 0.785144 O\n0.722388 0.214935 0.139197 O\n0.222388 0.285065 0.860803 O\n0.195059 0.500000 0.214857 O\n0.187985 0.500000 0.579540 O\n0.764081 0.500000 0.777256 O\n0.722388 0.785065 0.139197 O\n",
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"structure_string": "Sr2 Al1 Tl1 V2 O7\n1.0\n3.626187 -0.000000 0.000000\n0.000000 3.626187 -0.000000\n0.000000 0.000000 13.720047\nSr Al Tl V O\n2 1 1 2 7\ndirect\n0.500000 0.500000 0.807331 Sr\n0.500000 0.500000 0.179867 Sr\n0.500000 0.500000 0.501477 Al\n0.000000 0.000000 0.009121 Tl\n0.000000 0.000000 0.643016 V\n0.000000 0.000000 0.362134 V\n0.500000 0.000000 0.591215 O\n0.000000 0.500000 0.591215 O\n0.500000 0.000000 0.415804 O\n0.000000 0.500000 0.415804 O\n0.000000 0.000000 0.781808 O\n0.000000 0.000000 0.223300 O\n0.500000 0.500000 0.977877 O\n",
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"structure_string": "K2 Co1 Pb1 N6 O12\n1.0\n6.360978 0.000000 3.672512\n2.120326 5.997188 3.672512\n0.000000 0.000000 7.345026\nK Co Pb N O\n2 1 1 6 12\ndirect\n0.750002 0.749999 0.749999 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Pb\n0.809171 0.190831 0.190828 N\n0.190830 0.809171 0.809169 N\n0.190830 0.809171 0.190828 N\n0.809171 0.190831 0.809169 N\n0.809171 0.809171 0.190829 N\n0.190830 0.190831 0.809171 N\n0.357606 0.149228 0.642394 O\n0.850774 0.642393 0.149227 O\n0.149228 0.642393 0.357606 O\n0.642395 0.850771 0.357605 O\n0.149230 0.850771 0.642395 O\n0.357608 0.850771 0.149226 O\n0.642394 0.149228 0.850771 O\n0.357606 0.642393 0.850772 O\n0.642393 0.357606 0.149229 O\n0.850771 0.357606 0.642394 O\n0.850772 0.149228 0.357606 O\n0.149228 0.357606 0.850772 O\n",
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"structure_string": "Ba1 Mn1 Al1 Cu1 O5\n1.0\n3.732152 0.000000 0.000000\n0.000000 3.732152 0.000000\n0.000000 0.000000 7.757984\nBa Mn Al Cu O\n1 1 1 1 5\ndirect\n0.000000 0.000000 0.002751 Ba\n0.500000 0.500000 0.316852 Mn\n0.000000 0.000000 0.544946 Al\n0.500000 0.500000 0.732067 Cu\n0.500000 0.000000 0.378586 O\n0.000000 0.500000 0.378586 O\n0.500000 0.000000 0.694834 O\n0.000000 0.500000 0.694834 O\n0.500000 0.500000 0.068647 O\n",
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