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{
"id": "jvasp-67996",
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"structure_string": "Na2 Be1 Cu1\n1.0\n-2.310272 2.310272 3.276254\n2.310272 -2.310272 3.276254\n2.310272 2.310272 -3.276254\nNa Be Cu\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.250000 0.749999 0.500000 Na\n0.499999 0.499999 0.000000 Be\n0.749999 0.250000 0.500000 Cu\n",
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{
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{
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"structure_string": "Ce1 Mg6 B1\n1.0\n7.223391 0.904091 0.000000\n-2.828729 4.899502 0.000000\n0.000000 0.000000 4.614045\nCe Mg B\n1 6 1\ndirect\n0.109860 0.304930 0.250000 Ce\n0.606936 0.304960 0.250000 Mg\n0.606936 0.801974 0.250000 Mg\n0.339066 0.160361 0.750001 Mg\n0.339066 0.678706 0.750001 Mg\n0.787898 0.143949 0.750001 Mg\n0.934747 0.717374 0.750001 Mg\n0.275486 0.887742 0.250000 B\n",
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{
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"updated_at": "2022-09-04T14:35:48.593107Z",
"structure_string": "Al1 As1 O4\n1.0\n4.512663 -0.224736 -2.637292\n-2.976445 4.302117 0.050098\n-0.155485 0.224736 5.224487\nAl As O\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Al\n0.499999 0.250000 0.750000 As\n0.602910 0.986145 0.867703 O\n0.118440 0.132298 0.735210 O\n0.397087 0.264790 0.383231 O\n0.881558 0.616769 0.013856 O\n",
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{
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"structure_string": "Rb6 Er2\n1.0\n4.450903 -7.709189 0.000000\n4.450903 7.709189 0.000000\n-0.000000 -0.000000 7.284107\nRb Er\n6 2\ndirect\n0.172673 0.827327 0.750000 Rb\n0.654653 0.827326 0.750000 Rb\n0.172673 0.345346 0.750000 Rb\n0.827327 0.172673 0.250000 Rb\n0.345346 0.172673 0.250000 Rb\n0.827326 0.654653 0.250000 Rb\n0.333333 0.666667 0.250000 Er\n0.666667 0.333333 0.750000 Er\n",
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{
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"created_at": "2022-09-04T14:38:50.412391Z",
"updated_at": "2022-09-04T14:38:50.412420Z",
"structure_string": "Li4 Fe4 F20\n1.0\n4.899276 -0.000000 0.000000\n0.000000 7.371593 0.000000\n-0.000000 -0.000000 10.307715\nLi Fe F\n4 4 20\ndirect\n0.701041 0.250000 -0.000000 Li\n0.701041 0.250000 0.500000 Li\n0.298960 0.750000 -0.000000 Li\n0.298960 0.750000 0.500000 Li\n-0.000247 -0.000142 0.250000 Fe\n-0.000247 0.500142 0.750000 Fe\n0.000247 0.499857 0.250000 Fe\n0.000247 0.000142 0.750000 Fe\n0.843414 0.750182 0.750000 F\n0.761322 0.064219 0.627568 F\n0.761322 0.064219 0.872432 F\n0.760815 0.063983 0.372412 F\n0.761322 0.435781 0.372432 F\n0.760815 0.063983 0.127588 F\n0.843414 0.749817 0.250000 F\n0.761322 0.435781 0.127568 F\n0.156587 0.249817 0.250000 F\n0.238679 0.564219 0.627568 F\n0.238679 0.564219 0.872432 F\n0.238679 0.935781 0.372432 F\n0.760815 0.436017 0.627588 F\n0.238679 0.935781 0.127568 F\n0.239186 0.936017 0.872413 F\n0.239186 0.936017 0.627588 F\n0.239186 0.563983 0.372412 F\n0.239186 0.563983 0.127588 F\n0.156587 0.250183 0.750000 F\n0.760815 0.436017 0.872413 F\n",
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{
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"created_at": "2022-09-04T14:38:44.692227Z",
"updated_at": "2022-09-04T14:38:44.692244Z",
"structure_string": "Li6 V2 O2 F10\n1.0\n5.053421 -0.124686 -0.223730\n-1.726938 5.341254 0.396744\n-0.151829 0.353622 8.079555\nLi V O F\n6 2 2 10\ndirect\n0.059079 0.919020 0.652684 Li\n0.559082 0.419017 0.152687 Li\n-0.010258 0.389059 0.688208 Li\n0.489748 0.889060 0.188208 Li\n0.484986 0.745627 0.826939 Li\n-0.015013 0.245631 0.326939 Li\n0.522822 0.567041 0.499619 V\n0.022820 0.067037 -0.000381 V\n0.217409 0.072324 0.172574 O\n0.717400 0.572322 0.672575 O\n0.707380 0.751150 0.041950 F\n0.802413 0.054285 0.773581 F\n0.302414 0.554286 0.273579 F\n0.771066 0.214631 0.090579 F\n0.271055 0.714634 0.590577 F\n0.220921 0.905740 0.877110 F\n0.720922 0.405738 0.377112 F\n0.729785 0.896321 0.392547 F\n0.229785 0.396327 0.892545 F\n0.207378 0.251155 0.541951 F\n",
"nsites": 20,
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{
"id": "jvasp-99163",
"created_at": "2022-09-04T14:36:31.634889Z",
"updated_at": "2022-09-04T14:36:31.634928Z",
"structure_string": "Li12 Br6 N2\n1.0\n6.180680 0.000000 -0.033418\n0.000000 6.281096 0.000000\n-0.020883 0.000000 8.975145\nLi Br N\n12 6 2\ndirect\n0.398977 0.430292 0.695829 Li\n0.337170 0.264225 0.422454 Li\n0.837170 0.235775 0.922454 Li\n0.601024 0.569709 0.304171 Li\n0.662831 0.735775 0.577546 Li\n0.101024 0.930292 0.804172 Li\n0.898976 0.069709 0.195828 Li\n0.750484 0.330121 0.535649 Li\n0.249517 0.669879 0.464351 Li\n0.250483 0.169879 0.035649 Li\n0.749517 0.830121 0.964351 Li\n0.162831 0.764226 0.077546 Li\n0.007113 0.480590 0.256667 Br\n0.992888 0.519410 0.743333 Br\n0.507113 0.019410 0.756667 Br\n0.492887 0.980591 0.243333 Br\n0.500000 0.500000 -0.000000 Br\n0.000000 0.000000 0.500000 Br\n0.500000 0.500000 0.500000 N\n0.000000 0.000000 0.000000 N\n",
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"structure_string": "Al4 S6 O24\n1.0\n7.112119 0.000807 4.730684\n2.535384 6.644852 4.730684\n0.001172 0.000807 8.541756\nAl S O\n4 6 24\ndirect\n0.142958 0.142959 0.142958 Al\n0.857041 0.857042 0.857041 Al\n0.352181 0.352182 0.352182 Al\n0.647818 0.647819 0.647818 Al\n0.751519 0.036406 0.460439 S\n0.539560 0.248480 0.963595 S\n0.248479 0.963595 0.539561 S\n0.460439 0.751519 0.036405 S\n0.963594 0.539561 0.248479 S\n0.036405 0.460439 0.751519 S\n0.156668 0.520176 0.227407 O\n0.885480 0.737643 0.107209 O\n0.737642 0.107210 0.885480 O\n0.772592 0.843332 0.479824 O\n0.843331 0.479825 0.772593 O\n0.479824 0.772593 0.843332 O\n0.227407 0.156669 0.520176 O\n0.544934 0.182916 0.478976 O\n0.006799 0.619195 0.797447 O\n0.619195 0.797446 0.006799 O\n0.202553 0.993201 0.380805 O\n0.993201 0.380805 0.202553 O\n0.380804 0.202554 0.993201 O\n0.107209 0.885480 0.737643 O\n0.262357 0.892790 0.114520 O\n0.114520 0.262358 0.892791 O\n0.892790 0.114520 0.262357 O\n0.521023 0.455066 0.817084 O\n0.817084 0.521024 0.455065 O\n0.455065 0.817084 0.521024 O\n0.478976 0.544935 0.182916 O\n0.182916 0.478976 0.544935 O\n0.797446 0.006800 0.619195 O\n0.520176 0.227407 0.156668 O\n",
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"structure_string": "K1 Rb2 Gd1 Cl6\n1.0\n6.798114 -0.000000 3.924893\n2.266038 6.409323 3.924893\n-0.000000 -0.000000 7.849786\nK Rb Gd Cl\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Gd\n0.761805 0.238194 0.238194 Cl\n0.238194 0.238194 0.761806 Cl\n0.238195 0.761805 0.761806 Cl\n0.238195 0.761805 0.238194 Cl\n0.761805 0.238194 0.761806 Cl\n0.761806 0.761805 0.238194 Cl\n",
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"structure_string": "Mg6 Zn2\n1.0\n4.319778 -0.000000 0.000000\n0.000000 4.319778 0.000000\n-0.000000 -0.000000 8.742369\nMg Zn\n6 2\ndirect\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.250000 Mg\n0.000000 0.500000 0.250000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.750000 Mg\n0.500000 0.000000 0.750000 Mg\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n",
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"structure_string": "Na2 Cr2 C2 S2 O14\n1.0\n6.279620 -0.000000 0.000000\n0.000000 4.803628 -0.058555\n-0.000000 -0.455336 9.038945\nNa Cr C S O\n2 2 2 2 14\ndirect\n0.608119 0.973030 0.888606 Na\n0.108119 0.026969 0.111394 Na\n0.242195 0.259909 0.664656 Cr\n0.742195 0.740090 0.335344 Cr\n0.234763 0.443043 0.917469 C\n0.734763 0.556956 0.082531 C\n0.743777 0.292797 0.578649 S\n0.243777 0.707203 0.421351 S\n0.748077 0.408386 0.199633 O\n0.427856 0.762872 0.325130 O\n0.056652 0.772037 0.328314 O\n0.745716 0.121213 0.438936 O\n0.238597 0.408291 0.458180 O\n0.738597 0.591709 0.541820 O\n0.248077 0.591614 0.800367 O\n0.556652 0.227962 0.671686 O\n0.927856 0.237128 0.674870 O\n0.745299 0.830508 0.122771 O\n0.245299 0.169492 0.877229 O\n0.711099 0.464635 0.952088 O\n0.245716 0.878787 0.561064 O\n0.211099 0.535364 0.047912 O\n",
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}