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{
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{
"id": "mp-759744",
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"structure_string": "Mn8 Fe8 O24\n1.0\n8.243295 0.000000 0.000000\n-2.761052 7.786555 0.000000\n-2.634566 -3.840355 6.830324\nMn Fe O\n8 8 24\ndirect\n0.006959 0.005022 0.503575 Mn\n0.250784 0.031347 0.279459 Mn\n0.030545 0.280352 0.250814 Mn\n0.780185 0.749973 0.030413 Mn\n0.279617 0.746714 0.533029 Mn\n0.499747 0.500648 0.492655 Mn\n0.742307 0.465849 0.209436 Mn\n0.496888 0.997988 0.998742 Mn\n0.464518 0.211108 0.749225 Fe\n0.252809 0.541265 0.794002 Fe\n0.999018 0.496483 0.002040 Fe\n0.713040 0.252945 0.462257 Fe\n0.207712 0.249475 0.957754 Fe\n0.965638 0.716463 0.754493 Fe\n0.540005 0.786615 0.250468 Fe\n0.749249 0.960220 0.709376 Fe\n0.044980 0.776811 0.048961 O\n0.494656 0.272922 0.524198 O\n0.742044 0.742484 0.785832 O\n0.054533 0.540771 0.275955 O\n0.225033 0.945699 0.497939 O\n0.440029 0.205079 0.005084 O\n0.732405 0.447229 0.962272 O\n0.234934 0.788000 0.803022 O\n0.014030 0.056492 0.291127 O\n0.539373 0.978551 0.776049 O\n0.288071 0.519872 0.563317 O\n0.756990 0.718359 0.253938 O\n0.453934 0.992336 0.223210 O\n0.741100 0.511497 0.458155 O\n0.234021 0.286123 0.737512 O\n0.764179 0.222079 0.221275 O\n0.999485 0.950464 0.714610 O\n0.275963 0.549529 0.052148 O\n0.547930 0.780067 0.000021 O\n0.253538 0.274762 0.215906 O\n0.769335 0.047280 0.497711 O\n0.955103 0.457059 0.725141 O\n0.516345 0.723284 0.453693 O\n0.942969 0.220787 0.935190 O\n",
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},
{
"id": "mp-1175199",
"created_at": "2022-09-04T14:40:04.854143Z",
"structure_string": "Li7 Mn4 Co1 O12\n1.0\n5.026822 0.000000 0.000000\n1.689702 5.577186 0.000000\n1.329314 1.124154 7.745911\nLi Mn Co O\n7 4 1 12\ndirect\n0.502590 0.331709 0.160706 Li\n0.994544 0.836093 0.671897 Li\n0.995637 0.167888 0.334029 Li\n0.499367 0.665907 0.829818 Li\n0.496742 0.001309 0.510892 Li\n0.010026 0.499037 0.991416 Li\n0.498027 0.169203 0.829554 Li\n0.009608 0.002307 0.991881 Mn\n0.999780 0.330238 0.671649 Mn\n0.505683 0.834234 0.162273 Mn\n0.995284 0.665328 0.336623 Mn\n0.492830 0.495089 0.513911 Co\n0.788641 0.317472 0.898674 O\n0.270046 0.808764 0.395753 O\n0.253511 0.140908 0.092273 O\n0.740724 0.642024 0.590569 O\n0.740643 0.978653 0.255787 O\n0.233604 0.496903 0.738727 O\n0.231685 0.352963 0.437169 O\n0.740909 0.842895 0.945072 O\n0.753307 0.194118 0.576734 O\n0.265549 0.685731 0.078152 O\n0.232671 0.020011 0.736524 O\n0.748589 0.521213 0.249915 O\n",
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"formula_full": "Li7 Mn4 Co1 O12",
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{
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"structure_string": "Zr9 Sc1 O20\n1.0\n6.386043 0.000000 0.000000\n2.250758 7.007289 0.000000\n2.052642 1.245403 7.763170\nZr Sc O\n9 1 20\ndirect\n0.999427 0.001722 0.998653 Zr\n0.399854 0.598888 0.201741 Zr\n0.000097 0.498519 0.994926 Zr\n0.800290 0.200181 0.402501 Zr\n0.398041 0.100669 0.205610 Zr\n0.200675 0.800239 0.599330 Zr\n0.806152 0.696045 0.400259 Zr\n0.601029 0.399243 0.797705 Zr\n0.594235 0.904315 0.799306 Zr\n0.200552 0.299998 0.599647 Sc\n0.375336 0.917413 0.043606 O\n0.775723 0.517723 0.239497 O\n0.322784 0.382397 0.059750 O\n0.023611 0.183081 0.158658 O\n0.172382 0.115212 0.443658 O\n0.426461 0.783077 0.358542 O\n0.726233 0.981633 0.258061 O\n0.576259 0.717311 0.640603 O\n0.076242 0.717180 0.140844 O\n0.822209 0.388451 0.555429 O\n0.129526 0.584182 0.457283 O\n0.478145 0.314384 0.338087 O\n0.973423 0.314631 0.841306 O\n0.228585 0.978284 0.761217 O\n0.527430 0.185432 0.657391 O\n0.874416 0.915774 0.541876 O\n0.622812 0.582883 0.958066 O\n0.921542 0.784731 0.858730 O\n0.272829 0.519442 0.745849 O\n0.673691 0.116964 0.941865 O\n",
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"formula_full": "Zr9 Sc1 O20",
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{
"id": "mp-771056",
"created_at": "2022-09-04T14:40:04.866975Z",
"structure_string": "Li7 Ti5 Mn12 O32\n1.0\n-5.921317 0.000000 0.000000\n2.931599 5.302316 0.000000\n-0.168054 -2.583225 -19.683191\nLi Ti Mn O\n7 5 12 32\ndirect\n0.659882 0.815771 0.969878 Li\n0.599720 0.695316 0.781827 Li\n0.896270 0.304516 0.713938 Li\n0.848227 0.193865 0.540370 Li\n0.096707 0.684539 0.274507 Li\n0.411200 0.317779 0.221790 Li\n0.342319 0.182783 0.031734 Li\n0.142186 0.268217 0.874240 Ti\n0.992504 0.490461 0.002424 Ti\n0.126679 0.759144 0.874972 Ti\n0.148859 0.807585 0.469012 Ti\n0.881937 0.762229 0.126156 Ti\n0.628895 0.254015 0.876290 Mn\n0.244669 0.993940 0.748964 Mn\n0.375819 0.747107 0.628701 Mn\n0.116787 0.235488 0.370367 Mn\n0.867298 0.747049 0.628169 Mn\n0.622751 0.749986 0.370965 Mn\n0.376625 0.257018 0.628898 Mn\n0.624015 0.242090 0.371432 Mn\n0.500839 0.503353 0.505229 Mn\n0.748682 0.000310 0.248263 Mn\n0.378181 0.752964 0.124225 Mn\n0.875189 0.252375 0.125622 Mn\n0.278837 0.597986 0.932777 O\n0.834001 0.169966 0.936705 O\n0.853264 0.630927 0.938033 O\n0.075145 0.096125 0.684012 O\n0.948333 0.393108 0.824306 O\n0.403806 0.877753 0.814536 O\n0.307847 0.112411 0.927405 O\n0.577825 0.618952 0.685280 O\n0.430154 0.362796 0.821981 O\n0.977440 0.910979 0.820042 O\n0.678503 0.858789 0.574700 O\n0.227354 0.403053 0.570382 O\n0.065588 0.639214 0.678302 O\n0.513295 0.092012 0.683138 O\n0.169618 0.871419 0.559986 O\n0.326794 0.627742 0.441264 O\n0.669969 0.398234 0.567827 O\n0.802940 0.097253 0.421615 O\n0.933650 0.327220 0.307027 O\n0.468260 0.899484 0.305059 O\n0.296164 0.119194 0.434368 O\n0.801764 0.609582 0.441113 O\n0.585092 0.671184 0.185892 O\n0.028693 0.098233 0.180995 O\n0.680215 0.854286 0.070236 O\n0.445290 0.396329 0.326683 O\n0.598808 0.127581 0.186602 O\n0.904946 0.871966 0.306478 O\n0.069087 0.641843 0.175964 O\n0.151941 0.372226 0.060568 O\n0.722886 0.401293 0.066487 O\n0.166255 0.832966 0.062265 O\n",
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"formula_full": "Li7 Ti5 Mn12 O32",
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{
"id": "mp-530018",
"created_at": "2022-09-04T14:40:04.885261Z",
"structure_string": "Ta27 S50\n1.0\n10.451104 0.000000 0.000000\n-2.933522 10.046797 0.000000\n-0.020273 -2.799020 14.308459\nTa S\n27 50\ndirect\n0.000552 0.997922 0.996479 Ta\n0.599090 0.398503 0.997705 Ta\n0.082963 0.919938 0.200462 Ta\n0.210252 0.809796 0.000636 Ta\n0.560104 0.442996 0.399343 Ta\n0.679635 0.318669 0.202364 Ta\n0.795969 0.197465 0.999886 Ta\n0.037488 0.960129 0.598075 Ta\n0.156649 0.837662 0.399685 Ta\n0.281266 0.721583 0.203287 Ta\n0.408856 0.610724 0.001206 Ta\n0.524994 0.480761 0.798227 Ta\n0.650650 0.369415 0.601362 Ta\n0.770704 0.249927 0.401486 Ta\n0.878233 0.120585 0.202864 Ta\n0.118814 0.880429 0.800308 Ta\n0.238404 0.759260 0.600150 Ta\n0.358134 0.636757 0.399803 Ta\n0.479247 0.522832 0.201008 Ta\n0.718255 0.281075 0.802750 Ta\n0.849440 0.169313 0.601420 Ta\n0.962049 0.040901 0.399592 Ta\n0.973101 0.485420 0.565349 Ta\n0.326436 0.689162 0.802549 Ta\n0.441791 0.559169 0.598030 Ta\n0.919475 0.077133 0.799237 Ta\n0.532492 0.926379 0.964653 Ta\n0.976674 0.781691 0.049129 S\n0.217504 0.039793 0.084503 S\n0.449753 0.300223 0.250342 S\n0.562927 0.173524 0.049464 S\n0.697631 0.553999 0.281367 S\n0.813516 0.428939 0.083161 S\n0.926325 0.820170 0.448511 S\n0.048798 0.698396 0.248392 S\n0.177837 0.588441 0.049077 S\n0.178790 0.070633 0.483082 S\n0.297484 0.955210 0.286934 S\n0.425828 0.845162 0.095333 S\n0.415979 0.341679 0.648813 S\n0.540485 0.226846 0.452474 S\n0.651290 0.102674 0.255278 S\n0.764031 0.974856 0.049110 S\n0.660082 0.600007 0.683003 S\n0.780947 0.490470 0.480001 S\n0.901046 0.357180 0.280855 S\n0.888768 0.855906 0.848482 S\n0.011687 0.228803 0.082435 S\n0.004686 0.733738 0.649232 S\n0.122912 0.612770 0.450812 S\n0.248165 0.498602 0.248433 S\n0.135706 0.114820 0.882445 S\n0.371529 0.386510 0.048639 S\n0.253419 0.990859 0.681277 S\n0.373092 0.869496 0.483228 S\n0.498268 0.754599 0.286736 S\n0.486647 0.260192 0.847498 S\n0.622463 0.633389 0.084564 S\n0.617216 0.147497 0.648277 S\n0.735384 0.030461 0.452621 S\n0.850559 0.900053 0.250014 S\n0.739492 0.513751 0.885505 S\n0.865860 0.403317 0.695734 S\n0.996428 0.276638 0.480678 S\n0.098298 0.153478 0.281397 S\n0.097146 0.664103 0.853147 S\n0.207748 0.538280 0.651484 S\n0.330375 0.416649 0.449236 S\n0.339460 0.930085 0.878657 S\n0.456451 0.793327 0.680555 S\n0.575203 0.676123 0.482717 S\n0.682595 0.053363 0.848733 S\n0.809533 0.944558 0.648043 S\n0.934619 0.308862 0.885084 S\n0.062384 0.193755 0.685633 S\n0.296782 0.469721 0.851852 S\n0.553012 0.716239 0.879545 S\n",
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{
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"structure_string": "Li1 V1 Cr1 P2 O8 F2\n1.0\n5.161521 0.000000 0.000000\n-0.740573 5.289743 0.000000\n-2.025392 -2.764668 6.475807\nLi V Cr P O F\n1 1 1 2 8 2\ndirect\n0.743224 0.385905 0.182620 Li\n0.004649 0.003347 0.993746 V\n0.001108 0.998432 0.502437 Cr\n0.678449 0.360670 0.756774 P\n0.318107 0.644050 0.242501 P\n0.357053 0.220913 0.910253 O\n0.751770 0.221910 0.599673 O\n0.694692 0.659270 0.662930 O\n0.116868 0.669208 0.123314 O\n0.848091 0.312370 0.900532 O\n0.315147 0.343182 0.336414 O\n0.261012 0.791298 0.393585 O\n0.638757 0.766971 0.085908 O\n0.881771 0.064597 0.261216 F\n0.118429 0.942402 0.737040 F\n",
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{
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"structure_string": "Li6 Ti4 P6 O24\n1.0\n8.476411 0.000000 0.000000\n4.235053 7.367359 0.000000\n4.220321 2.430287 7.691206\nLi Ti P O\n6 4 6 24\ndirect\n0.244044 0.569281 0.355026 Li\n0.330492 0.071868 0.862865 Li\n0.076390 0.733067 0.864507 Li\n0.924516 0.268695 0.139500 Li\n0.669859 0.923302 0.138873 Li\n0.732817 0.331547 0.859418 Li\n0.144347 0.143383 0.563078 Ti\n0.346280 0.350826 0.957138 Ti\n0.645111 0.654543 0.043596 Ti\n0.846557 0.856273 0.438712 Ti\n0.044146 0.456655 0.750041 P\n0.542085 0.251499 0.250434 P\n0.250130 0.957398 0.251919 P\n0.747708 0.042966 0.750074 P\n0.460580 0.748363 0.749290 P\n0.957029 0.539908 0.249613 P\n0.205548 0.150233 0.100255 O\n0.151415 0.532428 0.099102 O\n0.017736 0.604956 0.574922 O\n0.143729 0.252573 0.732465 O\n0.126910 0.853498 0.278963 O\n0.541425 0.208104 0.099868 O\n0.385377 0.207465 0.417568 O\n0.164731 0.495834 0.806819 O\n0.504976 0.466894 0.198457 O\n0.200652 0.997358 0.417679 O\n0.747373 0.128738 0.266590 O\n0.465752 0.835148 0.195057 O\n0.531548 0.166496 0.808980 O\n0.256149 0.870801 0.731519 O\n0.799983 0.004189 0.582438 O\n0.496296 0.533403 0.807779 O\n0.831527 0.506416 0.192155 O\n0.613538 0.799303 0.577566 O\n0.472688 0.797629 0.889578 O\n0.870527 0.142843 0.731707 O\n0.857748 0.744563 0.267074 O\n0.996654 0.389771 0.417354 O\n0.847173 0.461784 0.896640 O\n0.790451 0.849001 0.901381 O\n",
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