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{
"id": "mp-695227",
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"structure_string": "Ca14 La6 Mg3 Ti17 O60\n1.0\n-5.480779 0.000000 0.000000\n-0.008347 5.548176 0.000000\n-0.016239 0.065646 -38.929150\nCa La Mg Ti O\n14 6 3 17 60\ndirect\n0.987618 0.039262 0.148658 Ca\n0.989185 0.038977 0.949832 Ca\n0.511065 0.539766 0.148691 Ca\n0.513705 0.541000 0.949738 Ca\n0.488140 0.459854 0.049228 Ca\n0.489260 0.459688 0.247472 Ca\n0.484943 0.456297 0.648570 Ca\n0.484920 0.456207 0.448307 Ca\n0.483386 0.456687 0.850042 Ca\n0.012246 0.960473 0.049326 Ca\n0.008006 0.961210 0.247381 Ca\n0.012308 0.963583 0.649009 Ca\n0.012032 0.963466 0.448751 Ca\n0.016390 0.961732 0.850461 Ca\n0.992254 0.030037 0.351640 La\n0.994246 0.029185 0.552198 La\n0.994401 0.028874 0.752645 La\n0.508805 0.532691 0.351520 La\n0.510592 0.533920 0.552049 La\n0.511086 0.533803 0.752491 La\n0.500568 0.000553 0.601606 Mg\n0.500516 0.000080 0.401573 Mg\n0.500639 0.000936 0.801966 Mg\n0.008976 0.501746 0.999324 Ti\n0.996006 0.498936 0.098455 Ti\n0.994674 0.498098 0.197518 Ti\n0.999902 0.503958 0.297061 Ti\n0.000769 0.499987 0.402678 Ti\n0.000467 0.500132 0.603388 Ti\n0.003228 0.500071 0.699193 Ti\n0.000670 0.500167 0.804171 Ti\n0.502211 0.998582 0.098199 Ti\n0.496233 0.004027 0.297636 Ti\n0.500847 0.000110 0.497575 Ti\n0.502217 0.003913 0.997987 Ti\n0.502436 0.000326 0.697842 Ti\n0.508710 0.992795 0.898442 Ti\n0.489852 0.995326 0.198468 Ti\n0.001539 0.500316 0.498847 Ti\n0.998365 0.493135 0.900566 Ti\n0.915790 0.520724 0.050904 O\n0.916273 0.520837 0.249754 O\n0.908571 0.525488 0.450630 O\n0.908138 0.525535 0.651036 O\n0.910081 0.526233 0.852136 O\n0.781786 0.780869 0.109312 O\n0.777337 0.774636 0.307976 O\n0.778616 0.776270 0.709252 O\n0.778901 0.776112 0.508942 O\n0.786302 0.783638 0.191151 O\n0.782274 0.783969 0.910561 O\n0.784704 0.772450 0.390379 O\n0.785558 0.772319 0.590863 O\n0.785462 0.771855 0.791387 O\n0.780838 0.781999 0.991844 O\n0.719820 0.281841 0.109286 O\n0.720589 0.285991 0.191194 O\n0.723740 0.275841 0.308015 O\n0.725790 0.286706 0.390610 O\n0.727092 0.287370 0.591051 O\n0.726096 0.279530 0.509336 O\n0.721741 0.286014 0.910649 O\n0.714963 0.281575 0.991785 O\n0.725643 0.279306 0.709637 O\n0.727498 0.287234 0.791608 O\n0.583024 0.020512 0.051201 O\n0.584669 0.021473 0.249564 O\n0.591395 0.028246 0.652550 O\n0.591939 0.028671 0.452323 O\n0.591260 0.027691 0.853438 O\n0.424042 0.986539 0.346912 O\n0.417621 0.980109 0.150737 O\n0.422549 0.985705 0.547816 O\n0.422207 0.985587 0.748182 O\n0.414458 0.979698 0.951827 O\n0.278003 0.716791 0.009607 O\n0.283063 0.717665 0.091574 O\n0.279391 0.717457 0.290207 O\n0.284346 0.720963 0.208983 O\n0.273818 0.709354 0.608436 O\n0.279404 0.718260 0.490225 O\n0.273973 0.709047 0.407937 O\n0.278968 0.718089 0.690520 O\n0.273977 0.709438 0.809035 O\n0.284260 0.720273 0.891893 O\n0.215985 0.219293 0.009653 O\n0.221001 0.219855 0.208957 O\n0.217117 0.217876 0.091559 O\n0.204882 0.222095 0.408213 O\n0.205377 0.222861 0.608565 O\n0.217293 0.222112 0.690827 O\n0.219239 0.218265 0.290236 O\n0.217615 0.221941 0.490577 O\n0.205427 0.222898 0.809218 O\n0.215199 0.222765 0.892033 O\n0.085012 0.479314 0.150530 O\n0.076202 0.486514 0.348188 O\n0.077802 0.488957 0.548520 O\n0.077671 0.488923 0.748937 O\n0.084796 0.480509 0.951214 O\n",
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"formula_full": "Ca14 La6 Mg3 Ti17 O60",
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"spacegroup": 1
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{
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"created_at": "2022-09-04T14:40:56.509689Z",
"structure_string": "Li14 Co2 O8 F4\n1.0\n-5.346684 0.000000 0.000000\n2.396525 5.190217 0.000000\n-0.702326 -2.687055 -9.861461\nLi Co O F\n14 2 8 4\ndirect\n0.053375 0.966845 0.768256 Li\n0.470530 0.367332 0.258215 Li\n0.535621 0.056496 0.611937 Li\n0.967612 0.418163 0.878090 Li\n0.042848 0.776805 0.556784 Li\n0.516651 0.288187 0.042601 Li\n0.948624 0.642596 0.322056 Li\n0.486291 0.764063 0.937135 Li\n0.972129 0.218841 0.469124 Li\n0.982951 0.503456 0.103233 Li\n0.490232 0.965868 0.386240 Li\n0.486165 0.563148 0.721978 Li\n0.990849 0.093690 0.254334 Li\n0.520713 0.848995 0.172137 Li\n0.005236 0.949925 0.051626 Co\n0.505550 0.503751 0.492217 Co\n0.256104 0.181870 0.595841 O\n0.282491 0.024631 0.204768 O\n0.164215 0.819709 0.963633 O\n0.664682 0.315722 0.434646 O\n0.690251 0.623877 0.118091 O\n0.345474 0.694083 0.540582 O\n0.827427 0.170989 0.055803 O\n0.774443 0.832698 0.393109 O\n0.863829 0.608273 0.721282 F\n0.320659 0.415609 0.888254 F\n0.146520 0.436464 0.277208 F\n0.688530 0.947914 0.780822 F\n",
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"formula_full": "Li14 Co2 O8 F4",
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{
"id": "mp-772900",
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"structure_string": "Sm8 Te4 O24\n1.0\n5.419620 0.000000 0.000000\n0.000000 9.311756 0.000000\n0.000000 0.000000 10.199573\nSm Te O\n8 4 24\ndirect\n0.024633 0.396323 0.041727 Sm\n0.033620 0.282707 0.637557 Sm\n0.466380 0.717293 0.137557 Sm\n0.475367 0.603677 0.541727 Sm\n0.524633 0.103677 0.958273 Sm\n0.533620 0.217293 0.362443 Sm\n0.966380 0.782707 0.862443 Sm\n0.975367 0.896323 0.458273 Sm\n0.040872 0.005019 0.143459 Te\n0.459128 0.994981 0.643459 Te\n0.540872 0.494981 0.856541 Te\n0.959128 0.505019 0.356541 Te\n0.075650 0.651715 0.477253 O\n0.168783 0.552707 0.210588 O\n0.182814 0.862336 0.258104 O\n0.188894 0.859530 0.675803 O\n0.224379 0.387036 0.435512 O\n0.248462 0.914024 0.006736 O\n0.251538 0.085976 0.506736 O\n0.275621 0.612964 0.935512 O\n0.311106 0.140470 0.175803 O\n0.317186 0.137664 0.758104 O\n0.331217 0.447293 0.710588 O\n0.424350 0.348285 0.977253 O\n0.575650 0.848285 0.522747 O\n0.668783 0.947293 0.789412 O\n0.682814 0.637664 0.741896 O\n0.688894 0.640470 0.324197 O\n0.724379 0.112964 0.564488 O\n0.748462 0.585976 0.993264 O\n0.751538 0.414024 0.493264 O\n0.775621 0.887036 0.064488 O\n0.811106 0.359530 0.824197 O\n0.817186 0.362336 0.241896 O\n0.831217 0.052707 0.289412 O\n0.924350 0.151715 0.022747 O\n",
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{
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{
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"structure_string": "Mg1 Zn4 Se8 O20\n1.0\n6.437965 0.118155 0.000000\n0.128069 7.196848 0.000000\n0.000000 0.000000 10.299678\nMg Zn Se O\n1 4 8 20\ndirect\n0.750000 0.500000 0.736552 Mg\n0.750000 0.000000 0.944551 Zn\n0.250000 0.500000 0.560844 Zn\n0.250000 0.000000 0.048512 Zn\n0.750000 0.500000 0.426397 Zn\n0.085966 0.319140 0.859658 Se\n0.538766 0.153663 0.658812 Se\n0.961234 0.846337 0.658812 Se\n0.414034 0.680860 0.859658 Se\n0.955276 0.632788 0.155168 Se\n0.455881 0.859122 0.339520 Se\n0.044119 0.140878 0.339520 Se\n0.544724 0.367212 0.155168 Se\n0.750000 0.000000 0.580096 O\n0.250000 0.500000 0.940631 O\n0.250000 0.000000 0.428698 O\n0.750000 0.500000 0.067374 O\n0.216088 0.293613 0.708563 O\n0.668541 0.229133 0.792079 O\n0.831459 0.770867 0.792079 O\n0.283912 0.706387 0.708563 O\n0.827217 0.696362 0.295078 O\n0.335066 0.807134 0.197765 O\n0.164934 0.192866 0.197765 O\n0.672783 0.303638 0.295078 O\n0.059641 0.344615 0.427784 O\n0.561453 0.164924 0.071322 O\n0.938547 0.835076 0.071322 O\n0.440359 0.655385 0.427784 O\n0.927009 0.626698 0.578880 O\n0.460820 0.924405 0.901666 O\n0.039180 0.075595 0.901666 O\n0.572991 0.373302 0.578880 O\n",
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{
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{
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{
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}