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{
"id": "jvasp-50689",
"created_at": "2022-09-04T14:36:33.720502Z",
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"structure_string": "Li4 Ti3 Cu3 Te2 O16\n1.0\n5.953435 -0.000431 0.000121\n-2.976204 5.158610 0.017688\n-0.000284 -0.265022 10.098422\nLi Ti Cu Te O\n4 3 3 2 16\ndirect\n0.343824 0.687684 0.087496 Li\n0.008017 0.016078 0.019666 Li\n0.987157 0.974322 0.511801 Li\n0.664228 0.328456 0.598487 Li\n0.167221 0.818071 0.782270 Ti\n0.650842 0.818091 0.782265 Ti\n0.826146 0.652303 0.276036 Ti\n0.337779 0.168468 0.284402 Cu\n0.830661 0.168466 0.284404 Cu\n0.170856 0.341710 0.797817 Cu\n0.321105 0.642208 0.495593 Te\n0.668353 0.336748 0.014004 Te\n0.834508 0.669030 0.905752 O\n0.338132 0.166557 0.917755 O\n0.667574 0.335171 0.380771 O\n0.973617 0.519014 0.135195 O\n0.545382 0.519038 0.135188 O\n0.148597 0.297180 0.414047 O\n0.523034 0.538453 0.669304 O\n0.490850 0.981747 0.686684 O\n0.649255 0.786505 0.390491 O\n-0.000082 -0.000132 0.201042 O\n0.001829 0.003672 0.705509 O\n0.341641 0.683290 0.893188 O\n0.528192 0.056449 0.145410 O\n0.137221 0.786492 0.390494 O\n0.015419 0.538395 0.669328 O\n0.828359 0.166541 0.917762 O\n",
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{
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"structure_string": "Mo2 W2 Se4 S4\n1.0\n3.257352 -0.000008 -0.000431\n-1.628682 2.820980 0.000038\n-0.004523 -0.002253 33.754069\nMo W Se S\n2 2 4 4\ndirect\n0.333204 0.666539 0.090376 Mo\n0.666717 0.333291 0.280515 Mo\n0.333418 0.666713 0.470581 W\n0.666661 0.333450 0.661445 W\n0.666429 0.333243 0.040117 Se\n0.666599 0.333294 0.419967 Se\n0.666639 0.333128 0.140691 Se\n0.666942 0.333543 0.521193 Se\n0.333554 0.666753 0.326319 S\n0.333538 0.666914 0.707429 S\n0.333147 0.666474 0.234703 S\n0.333160 0.666657 0.615413 S\n",
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{
"id": "jvasp-52188",
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"updated_at": "2022-09-04T14:36:37.891053Z",
"structure_string": "Y4 Pb4 O14\n1.0\n0.000005 5.372928 5.372972\n5.373008 -0.000099 5.373076\n5.372946 5.372970 -0.000037\nY Pb O\n4 4 14\ndirect\n0.499996 -0.000016 0.500012 Y\n0.500013 0.499988 -0.000005 Y\n0.000011 0.499986 0.499992 Y\n0.500011 0.499980 0.500003 Y\n-0.000006 0.000018 0.000007 Pb\n0.499971 0.000015 0.000020 Pb\n0.999993 -0.000006 0.500003 Pb\n0.999991 0.500044 -0.000019 Pb\n0.900040 0.349981 0.900028 O\n0.625014 0.624980 0.624999 O\n0.349963 0.349981 0.900032 O\n0.900020 0.900018 0.349982 O\n0.349972 0.900026 0.349989 O\n0.099972 0.650050 0.099966 O\n0.099946 0.099968 0.650044 O\n0.375011 0.374977 0.375000 O\n0.650010 0.650047 0.099975 O\n0.099986 0.650024 0.650006 O\n0.900055 0.349956 0.349941 O\n0.650024 0.099983 0.099967 O\n0.650026 0.099964 0.650051 O\n0.349971 0.900043 0.900018 O\n",
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{
"id": "jvasp-46518",
"created_at": "2022-09-04T14:38:15.417846Z",
"updated_at": "2022-09-04T14:38:15.417865Z",
"structure_string": "Li3 Al3 V3 O12\n1.0\n2.721706 -4.714132 0.000000\n2.721706 4.714132 -0.000000\n-0.000000 0.000000 12.090292\nLi Al V O\n3 3 3 12\ndirect\n0.000000 0.000000 0.666667 Li\n0.000000 0.000000 0.333333 Li\n0.000000 0.000000 0.000000 Li\n0.000001 0.500000 0.666667 Al\n0.500000 0.000001 0.000000 Al\n0.500001 0.500001 0.333333 Al\n0.000001 0.500000 0.166667 V\n0.500000 0.000001 0.500000 V\n0.500001 0.500001 0.833333 V\n0.815705 0.200244 0.076179 O\n0.799758 0.184296 0.590488 O\n0.384538 0.200243 0.923820 O\n0.384538 0.184296 0.409512 O\n0.615463 0.799758 0.923820 O\n0.184296 0.384538 0.257154 O\n0.184296 0.799758 0.076179 O\n0.200244 0.815705 0.590488 O\n0.799758 0.615463 0.742846 O\n0.200243 0.384538 0.742846 O\n0.615463 0.815706 0.409512 O\n0.815706 0.615463 0.257154 O\n",
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{
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"structure_string": "Bi4 Te4 Pd4\n1.0\n6.770177 0.000000 0.000000\n0.000000 6.770177 0.000000\n-0.000000 0.000000 6.770177\nBi Te Pd\n4 4 4\ndirect\n0.368491 0.368491 0.368491 Bi\n0.131509 0.631509 0.868491 Bi\n0.868491 0.131509 0.631509 Bi\n0.631509 0.868491 0.131509 Bi\n0.626061 0.626061 0.626061 Te\n0.873940 0.373940 0.126061 Te\n0.126061 0.873940 0.373940 Te\n0.373940 0.126061 0.873940 Te\n0.004071 0.004071 0.004071 Pd\n0.495929 0.995929 0.504072 Pd\n0.504072 0.495929 0.995929 Pd\n0.995929 0.504072 0.495929 Pd\n",
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{
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"created_at": "2022-09-04T14:38:01.656536Z",
"updated_at": "2022-09-04T14:38:01.656557Z",
"structure_string": "In2 Sn2 Cl6\n1.0\n-7.024037 -0.000039 3.949242\n-4.622267 6.600626 0.000024\n-6.440260 0.408792 -3.233481\nIn Sn Cl\n2 2 6\ndirect\n0.892817 0.892816 0.321552 In\n0.107184 0.107185 0.678449 In\n0.649961 0.649960 0.050120 Sn\n0.350039 0.350040 0.949881 Sn\n0.503587 0.734354 0.744184 Cl\n0.017874 0.503588 0.744184 Cl\n0.734354 0.017875 0.744183 Cl\n0.496413 0.265646 0.255818 Cl\n0.265645 0.982125 0.255817 Cl\n0.982124 0.496413 0.255819 Cl\n",
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{
"id": "jvasp-45329",
"created_at": "2022-09-04T14:36:50.055352Z",
"updated_at": "2022-09-04T14:36:50.055388Z",
"structure_string": "Mg2 Au4 F16\n1.0\n0.000000 5.526918 -0.017704\n5.541105 0.000000 0.000000\n0.000000 -3.608777 -10.124082\nMg Au F\n2 4 16\ndirect\n0.500000 0.500000 -0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.871835 0.700809 0.337813 Au\n0.128165 0.200809 0.162186 Au\n0.128164 0.299190 0.662186 Au\n0.871835 0.799190 0.837813 Au\n0.072672 0.692392 0.221487 F\n0.927328 0.192392 0.278512 F\n0.927328 0.307607 0.778512 F\n0.072671 0.807607 0.721487 F\n0.667258 0.705231 0.458320 F\n0.332742 0.205231 0.041679 F\n0.332742 0.294768 0.541679 F\n0.176595 0.690225 0.981092 F\n0.823404 0.190225 0.518907 F\n0.176595 0.809774 0.481092 F\n0.571852 0.906477 0.691081 F\n0.428147 0.406477 0.808919 F\n0.428148 0.093523 0.308919 F\n0.571852 0.593522 0.191081 F\n0.667257 0.794768 0.958320 F\n0.823405 0.309775 0.018907 F\n",
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{
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"created_at": "2022-09-04T14:38:53.186482Z",
"updated_at": "2022-09-04T14:38:53.186507Z",
"structure_string": "Na1 Ca3 Mg1 Fe1 Si4 O14\n1.0\n5.045765 -0.015534 0.114643\n0.071789 7.804254 0.050435\n0.073210 -0.010486 7.886187\nNa Ca Mg Fe Si O\n1 3 1 1 4 14\ndirect\n0.507566 0.816350 0.334540 Na\n0.511199 0.345909 0.183099 Ca\n0.504116 0.160634 0.653626 Ca\n0.479771 0.653803 0.827007 Ca\n0.996841 0.493908 0.501405 Mg\n0.006703 0.010816 0.000879 Fe\n0.951684 0.637359 0.136866 Si\n0.067394 0.143156 0.362805 Si\n0.928110 0.361390 0.853525 Si\n0.052176 0.859421 0.642192 Si\n0.819898 0.825860 0.091785 O\n0.231701 0.309095 0.429765 O\n0.775346 0.187332 0.930222 O\n0.190419 0.674541 0.606029 O\n0.210061 0.933957 0.810535 O\n0.766673 0.410158 0.683721 O\n0.750478 0.161228 0.368975 O\n0.801206 0.568850 0.309123 O\n0.734816 0.868302 0.663432 O\n0.245146 0.350941 0.840621 O\n0.174928 0.984983 0.486472 O\n0.270302 0.623894 0.121177 O\n0.207363 0.106028 0.173323 O\n0.816118 0.512080 0.988885 O\n",
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{
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"created_at": "2022-09-04T14:38:34.480745Z",
"updated_at": "2022-09-04T14:38:34.480773Z",
"structure_string": "Ca4 B8 O16\n1.0\n4.313774 -0.000000 0.000000\n-0.000000 6.165478 0.000000\n0.000000 0.000000 11.675076\nCa B O\n4 8 16\ndirect\n0.774116 0.250000 0.500000 Ca\n0.725883 0.750000 0.000000 Ca\n0.225883 0.750000 0.500000 Ca\n0.274116 0.250000 0.000000 Ca\n0.670942 0.872658 0.692413 B\n0.670942 0.627342 0.307588 B\n0.829056 0.127342 0.192412 B\n0.829056 0.372658 0.807588 B\n0.170943 0.627342 0.192412 B\n0.329057 0.372658 0.692413 B\n0.329057 0.127342 0.307588 B\n0.170943 0.872658 0.807588 B\n0.271744 0.908039 0.913604 O\n0.151674 0.350066 0.791872 O\n0.151674 0.149935 0.208128 O\n0.228255 0.091961 0.413604 O\n0.228255 0.408039 0.586397 O\n0.271744 0.591962 0.086397 O\n0.771744 0.908039 0.586397 O\n0.848326 0.649935 0.208128 O\n0.728255 0.408039 0.913604 O\n0.728255 0.091961 0.086397 O\n0.651673 0.149935 0.291872 O\n0.651673 0.350066 0.708129 O\n0.348326 0.649935 0.291872 O\n0.848326 0.850066 0.791872 O\n0.771744 0.591962 0.413604 O\n0.348326 0.850066 0.708129 O\n",
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{
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"structure_string": "K1 Rb2 Na1\n1.0\n-19.092743 -0.000000 -11.023200\n-11.441131 -0.236861 -2.229780\n-10.066301 3.651746 -4.611057\nK Rb Na\n1 2 1\ndirect\n0.500000 -0.000000 0.000000 K\n0.822520 -0.000000 0.000000 Rb\n0.177480 -0.000000 0.000000 Rb\n0.000000 0.000000 0.000000 Na\n",
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{
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"created_at": "2022-09-04T14:38:42.830791Z",
"updated_at": "2022-09-04T14:38:42.830819Z",
"structure_string": "H4 C12 S4 O4\n1.0\n3.945378 0.047210 -0.045973\n-1.545580 7.905218 -2.008017\n0.040405 0.141552 9.896256\nH C S O\n4 12 4 4\ndirect\n0.271001 0.557465 0.264412 H\n0.771036 0.057468 0.764418 H\n0.532110 0.760034 0.106233 H\n0.032159 0.260036 0.606241 H\n0.710128 0.692337 0.637900 C\n0.210135 0.192333 0.137901 C\n0.282744 0.077474 0.331688 C\n0.782722 0.577473 0.831686 C\n0.350043 0.346007 0.098135 C\n0.850050 0.846009 0.598136 C\n0.607067 0.534978 0.951959 C\n0.001644 0.123668 0.576320 C\n0.501610 0.623666 0.076315 C\n0.863771 0.015543 0.661525 C\n0.363745 0.515540 0.161520 C\n0.107088 0.034980 0.451961 C\n0.523013 0.320704 0.936742 S\n0.023013 0.820706 0.436742 S\n0.585691 0.513752 0.524124 S\n0.085704 0.013747 0.024127 S\n0.685570 0.708691 0.781879 O\n0.990284 0.496494 0.772736 O\n0.490305 0.996497 0.272739 O\n0.185586 0.208690 0.281880 O\n",
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{
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"structure_string": "Ca4 Mg2 Si4 O14\n1.0\n7.868724 0.000000 0.000000\n0.000000 7.868724 -0.000000\n0.000000 -0.000000 5.015291\nCa Mg Si O\n4 2 4 14\ndirect\n0.167711 0.332288 0.495221 Ca\n0.332288 0.832288 0.504779 Ca\n0.667711 0.167711 0.504779 Ca\n0.832288 0.667711 0.495221 Ca\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.641229 0.858770 0.068110 Si\n0.141230 0.641229 0.931890 Si\n0.358770 0.141230 0.068110 Si\n0.858770 0.358770 0.931890 Si\n0.500000 0.000000 0.186650 O\n0.000000 0.500000 0.813350 O\n0.641548 0.858452 0.745568 O\n0.858452 0.358452 0.254432 O\n0.082168 0.816122 0.780526 O\n0.183877 0.082168 0.219474 O\n0.316122 0.582168 0.780526 O\n0.917831 0.183877 0.780526 O\n0.582168 0.683877 0.219474 O\n0.417832 0.316122 0.219474 O\n0.141548 0.641548 0.254432 O\n0.683877 0.417832 0.780526 O\n0.816122 0.917831 0.219474 O\n0.358452 0.141548 0.745568 O\n",
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]
}