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{
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{
"id": "mp-1516644",
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"structure_string": "Sr2 Tb1 Nb1 O6\n1.0\n0.000000 -4.232794 -4.232794\n4.232794 0.000000 -4.232794\n4.232794 -4.232794 0.000000\nSr Tb Nb O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Tb\n0.000000 0.000000 0.000000 Nb\n0.762687 0.237313 0.237313 O\n0.237313 0.762687 0.762687 O\n0.762687 0.237313 0.762687 O\n0.237313 0.762687 0.237313 O\n0.762687 0.762687 0.237313 O\n0.237313 0.237313 0.762687 O\n",
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{
"id": "mp-6803",
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"structure_string": "Sr12 Pr8 B16 O48\n1.0\n7.403187 0.000000 0.000000\n0.000000 8.903286 0.000000\n0.000000 0.000000 16.796004\nSr Pr B O\n12 8 16 48\ndirect\n0.320672 0.349560 0.927300 Sr\n0.679328 0.650440 0.427300 Sr\n0.179328 0.849560 0.427300 Sr\n0.820672 0.150440 0.927300 Sr\n0.036849 0.327560 0.722127 Sr\n0.963151 0.672440 0.222127 Sr\n0.463151 0.827560 0.222127 Sr\n0.536849 0.172440 0.722127 Sr\n0.306866 0.351810 0.175546 Sr\n0.693134 0.648190 0.675546 Sr\n0.806866 0.148190 0.175546 Sr\n0.193134 0.851810 0.675546 Sr\n0.031163 0.329255 0.383646 Pr\n0.968837 0.670745 0.883646 Pr\n0.468837 0.829255 0.883646 Pr\n0.531163 0.170745 0.383646 Pr\n0.315520 0.465710 0.554672 Pr\n0.684480 0.534290 0.054672 Pr\n0.184480 0.965710 0.054672 Pr\n0.815520 0.034290 0.554672 Pr\n0.162237 0.061963 0.261439 B\n0.014985 0.370805 0.048933 B\n0.985015 0.629195 0.548933 B\n0.485015 0.870805 0.548933 B\n0.514985 0.129195 0.048933 B\n0.721692 0.355764 0.552440 B\n0.278308 0.644236 0.052440 B\n0.778308 0.855764 0.052440 B\n0.221692 0.144236 0.552440 B\n0.673478 0.451728 0.845602 B\n0.326522 0.548272 0.345602 B\n0.826522 0.951728 0.345602 B\n0.173478 0.048272 0.845602 B\n0.662237 0.438037 0.261439 B\n0.337763 0.561963 0.761439 B\n0.837763 0.938037 0.761439 B\n0.809497 0.491419 0.792758 O\n0.247596 0.719856 0.980798 O\n0.747596 0.780144 0.980798 O\n0.252404 0.219856 0.480798 O\n0.616663 0.259780 0.045585 O\n0.267870 0.218928 0.621302 O\n0.732130 0.781072 0.121302 O\n0.232130 0.718928 0.121302 O\n0.767870 0.281072 0.621302 O\n0.460948 0.055006 0.978858 O\n0.539052 0.944994 0.478858 O\n0.039052 0.555006 0.478858 O\n0.960948 0.444994 0.978858 O\n0.452560 0.073488 0.121280 O\n0.547440 0.926512 0.621280 O\n0.047440 0.573488 0.621280 O\n0.952560 0.426512 0.121280 O\n0.116663 0.240220 0.045585 O\n0.883337 0.759780 0.545585 O\n0.383337 0.740220 0.545585 O\n0.882815 0.060856 0.400570 O\n0.117185 0.939144 0.900570 O\n0.617185 0.560856 0.900570 O\n0.382815 0.439144 0.400570 O\n0.103559 0.191459 0.847828 O\n0.896441 0.808541 0.347828 O\n0.396441 0.691459 0.347828 O\n0.603559 0.308541 0.847828 O\n0.690503 0.991419 0.292758 O\n0.309497 0.008581 0.792758 O\n0.752404 0.280144 0.480798 O\n0.190503 0.508581 0.292758 O\n0.884163 0.038602 0.702362 O\n0.115837 0.961398 0.202362 O\n0.615837 0.538602 0.202362 O\n0.384163 0.461398 0.702362 O\n0.082611 0.204171 0.261059 O\n0.917389 0.795829 0.761059 O\n0.417389 0.704171 0.761059 O\n0.582611 0.295829 0.261059 O\n0.708819 0.971143 0.819220 O\n0.291181 0.028857 0.319220 O\n0.791181 0.471143 0.319220 O\n0.208819 0.528857 0.819220 O\n0.863327 0.992806 0.052675 O\n0.136673 0.007194 0.552675 O\n0.636673 0.492806 0.552675 O\n0.363327 0.507194 0.052675 O\n",
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"formula_full": "Sr12 Pr8 B16 O48",
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"spacegroup": 33
},
{
"id": "mp-766390",
"created_at": "2022-09-04T14:43:08.203552Z",
"structure_string": "Li40 Bi8 S32\n1.0\n11.408799 0.000000 0.000000\n0.000000 11.793324 0.000000\n0.000000 0.000000 11.995372\nLi Bi S\n40 8 32\ndirect\n0.125228 0.597975 0.147591 Li\n0.125228 0.902025 0.647591 Li\n0.116517 0.129687 0.853445 Li\n0.116517 0.370313 0.353445 Li\n0.131250 0.852600 0.407054 Li\n0.131250 0.647400 0.907054 Li\n0.141875 0.864228 0.137028 Li\n0.141875 0.635772 0.637028 Li\n0.148116 0.106546 0.400214 Li\n0.148116 0.393454 0.900214 Li\n0.351884 0.893454 0.900214 Li\n0.351884 0.606546 0.400214 Li\n0.358125 0.135772 0.637028 Li\n0.358125 0.364228 0.137028 Li\n0.368750 0.352600 0.407054 Li\n0.368750 0.147400 0.907054 Li\n0.383483 0.629687 0.853445 Li\n0.383483 0.870313 0.353445 Li\n0.374772 0.402025 0.647591 Li\n0.374772 0.097975 0.147591 Li\n0.625228 0.597975 0.352409 Li\n0.625228 0.902025 0.852409 Li\n0.616517 0.129687 0.646555 Li\n0.616517 0.370313 0.146555 Li\n0.631250 0.647400 0.592946 Li\n0.631250 0.852600 0.092946 Li\n0.641875 0.635772 0.862972 Li\n0.641875 0.864228 0.362972 Li\n0.648116 0.106546 0.099786 Li\n0.648116 0.393454 0.599786 Li\n0.851884 0.606546 0.099786 Li\n0.851884 0.893454 0.599786 Li\n0.858125 0.364228 0.362972 Li\n0.858125 0.135772 0.862972 Li\n0.868750 0.147400 0.592946 Li\n0.868750 0.352600 0.092946 Li\n0.883483 0.629687 0.646555 Li\n0.883483 0.870313 0.146555 Li\n0.874772 0.097975 0.352409 Li\n0.874772 0.402025 0.852409 Li\n0.084120 0.150599 0.142187 Bi\n0.084120 0.349401 0.642187 Bi\n0.415880 0.650599 0.142187 Bi\n0.415880 0.849401 0.642187 Bi\n0.584120 0.150599 0.357813 Bi\n0.584120 0.349401 0.857813 Bi\n0.915880 0.650599 0.357813 Bi\n0.915880 0.849401 0.857813 Bi\n0.993859 0.235026 0.456405 S\n0.993859 0.264974 0.956405 S\n0.021283 0.971389 0.273794 S\n0.021283 0.528611 0.773794 S\n0.221522 0.026952 0.013442 S\n0.221522 0.473048 0.513441 S\n0.260509 0.230512 0.268317 S\n0.260509 0.269488 0.768317 S\n0.239491 0.730512 0.268317 S\n0.239491 0.769488 0.768317 S\n0.278478 0.526952 0.013442 S\n0.278478 0.973048 0.513441 S\n0.478717 0.471389 0.273794 S\n0.478717 0.028611 0.773794 S\n0.506141 0.735026 0.456405 S\n0.506141 0.764974 0.956405 S\n0.493859 0.235026 0.043595 S\n0.493859 0.264974 0.543595 S\n0.521283 0.971389 0.226206 S\n0.521283 0.528611 0.726206 S\n0.721522 0.473048 0.986559 S\n0.721522 0.026952 0.486559 S\n0.760509 0.230512 0.231683 S\n0.760509 0.269488 0.731683 S\n0.739491 0.730512 0.231683 S\n0.739491 0.769488 0.731683 S\n0.778478 0.973048 0.986559 S\n0.778478 0.526952 0.486559 S\n0.978717 0.028611 0.726206 S\n0.978717 0.471389 0.226206 S\n0.006141 0.735026 0.043595 S\n0.006141 0.764974 0.543595 S\n",
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"elements": [
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],
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"formula_full": "Li40 Bi8 S32",
"formula_reduced": "Li5BiS4",
"formula_anonymous": "AB4C5",
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},
{
"id": "mp-754419",
"created_at": "2022-09-04T14:43:00.565750Z",
"structure_string": "Li4 Mn4 Sn2 O12\n1.0\n5.280583 0.176122 0.000010\n-2.501415 4.653858 -0.000013\n0.000021 -0.000017 10.334087\nLi Mn Sn O\n4 4 2 12\ndirect\n0.109708 0.609703 0.750000 Li\n0.390296 0.890293 0.250003 Li\n0.609712 0.109705 0.750000 Li\n0.890297 0.390297 0.249997 Li\n0.337000 0.663013 0.000002 Mn\n0.836993 0.163007 0.499988 Mn\n0.162993 0.836986 0.500002 Mn\n0.662994 0.336991 0.000008 Mn\n0.999993 0.999998 0.000000 Sn\n0.500006 0.500000 0.499999 Sn\n0.160396 0.160401 0.591629 O\n0.339597 0.339603 0.091618 O\n0.660399 0.660398 0.908372 O\n0.839601 0.839594 0.408383 O\n0.052769 0.693343 0.112049 O\n0.947232 0.306656 0.887937 O\n0.193344 0.552767 0.387948 O\n0.447232 0.806659 0.612066 O\n0.306663 0.947236 0.887939 O\n0.552769 0.193346 0.387949 O\n0.806663 0.447237 0.612060 O\n0.693343 0.052765 0.112054 O\n",
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},
{
"id": "mp-753991",
"created_at": "2022-09-04T14:45:12.329811Z",
"structure_string": "Mg8 Co4 O16\n1.0\n0.000000 4.204559 4.204559\n8.409117 0.000000 0.000000\n0.000000 4.204559 -4.204559\nMg Co O\n8 4 16\ndirect\n0.750000 0.250000 0.750000 Mg\n0.250000 0.750000 0.250000 Mg\n0.750000 0.250000 0.250000 Mg\n0.250000 0.750000 0.750000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.750000 0.625000 0.500000 Co\n0.250000 0.375000 0.500000 Co\n0.250000 0.125000 0.000000 Co\n0.750000 0.875000 0.000000 Co\n0.501602 0.250801 0.000000 O\n0.001602 0.750801 0.500000 O\n0.998397 0.250801 0.000000 O\n0.498397 0.750801 0.500000 O\n0.250000 0.500801 0.751602 O\n0.750000 0.000801 0.251602 O\n0.250000 0.500801 0.248398 O\n0.750000 0.000801 0.748398 O\n0.750000 0.499199 0.751602 O\n0.250000 0.999199 0.251602 O\n0.750000 0.499199 0.248398 O\n0.250000 0.999199 0.748398 O\n0.001603 0.749199 0.000000 O\n0.501603 0.249199 0.500000 O\n0.498398 0.749199 0.000000 O\n0.998398 0.249199 0.500000 O\n",
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},
{
"id": "mp-1245115",
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"structure_string": "Sn40 O40\n1.0\n12.053511 0.184362 -0.457437\n0.182090 12.222763 0.710340\n-0.456717 0.696910 12.186919\nSn O\n40 40\ndirect\n0.834604 0.060665 0.773052 Sn\n0.718022 0.493132 0.145056 Sn\n0.600861 0.554168 0.496407 Sn\n0.696381 0.805287 0.259518 Sn\n0.931614 0.989392 0.474239 Sn\n0.351630 0.236134 0.436451 Sn\n0.884368 0.570781 0.581748 Sn\n0.244220 0.801771 0.149502 Sn\n0.159226 0.898776 0.393948 Sn\n0.673961 0.310262 0.896717 Sn\n0.653943 0.033076 0.993883 Sn\n0.417698 0.816693 0.455918 Sn\n0.910767 0.958581 0.191868 Sn\n0.003711 0.234535 0.670940 Sn\n0.750646 0.204896 0.220844 Sn\n0.399386 0.113544 0.167304 Sn\n0.538813 0.071334 0.688958 Sn\n0.960221 0.225755 0.021628 Sn\n0.354385 0.048829 0.912345 Sn\n0.062922 0.961105 0.936122 Sn\n0.419311 0.431607 0.020294 Sn\n0.047790 0.439366 0.151694 Sn\n0.276481 0.472261 0.317009 Sn\n0.510447 0.679593 0.092253 Sn\n0.515196 0.663132 0.810753 Sn\n0.939029 0.816166 0.679844 Sn\n0.735983 0.345183 0.634388 Sn\n0.409991 0.320107 0.760668 Sn\n0.153063 0.616434 0.588048 Sn\n0.201326 0.585055 0.968438 Sn\n0.546073 0.090821 0.421753 Sn\n0.968364 0.720041 0.064685 Sn\n0.198865 0.378870 0.583305 Sn\n0.880878 0.492497 0.880360 Sn\n0.031171 0.250965 0.391562 Sn\n0.235639 0.054692 0.604061 Sn\n0.211517 0.263245 0.988996 Sn\n0.988957 0.664194 0.334760 Sn\n0.659668 0.817973 0.625251 Sn\n0.261805 0.812451 0.786758 Sn\n0.025293 0.349271 0.527154 O\n0.980271 0.129659 0.535433 O\n0.597483 0.684183 0.956135 O\n0.488170 0.051215 0.039247 O\n0.810173 0.486441 0.716070 O\n0.801585 0.725563 0.584180 O\n0.533351 0.494482 0.125617 O\n0.374358 0.599294 0.975998 O\n0.126638 0.734877 0.451118 O\n0.262524 0.082988 0.049117 O\n0.307688 0.217786 0.865152 O\n0.085738 0.751115 0.199463 O\n0.740468 0.940708 0.136502 O\n0.531781 0.193835 0.791393 O\n0.614781 0.128453 0.276982 O\n0.259253 0.692540 0.682089 O\n0.294116 0.928326 0.505633 O\n0.877090 0.802656 0.282347 O\n0.120103 0.402737 0.314507 O\n0.745654 0.445703 0.976981 O\n0.258164 0.430244 0.932898 O\n0.683638 0.661785 0.175212 O\n0.631071 0.139406 0.557481 O\n0.559678 0.919511 0.466516 O\n0.426886 0.811631 0.800895 O\n0.944729 0.581660 0.169507 O\n0.507440 0.377318 0.903123 O\n0.789692 0.910271 0.685811 O\n0.290727 0.856899 0.300215 O\n0.941802 0.083611 0.933612 O\n0.577059 0.416188 0.596760 O\n0.359575 0.287696 0.098351 O\n0.196047 0.161159 0.450216 O\n0.378902 0.148423 0.603210 O\n0.762725 0.491397 0.493346 O\n0.201085 0.525348 0.139755 O\n0.865588 0.051346 0.319157 O\n0.695013 0.190333 0.044511 O\n0.933212 0.330127 0.878666 O\n0.981795 0.952321 0.781395 O\n",
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},
{
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