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{
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{
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{
"id": "mp-1079356",
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"structure_string": "Nb2 Cr2 N6\n1.0\n3.441502 0.000000 0.000000\n0.000000 3.441502 0.000000\n0.000000 0.000000 9.560803\nNb Cr N\n2 2 6\ndirect\n0.000000 0.500000 0.621007 Nb\n0.500000 0.000000 0.378993 Nb\n0.000000 0.500000 0.087745 Cr\n0.500000 0.000000 0.912255 Cr\n0.000000 0.500000 0.270027 N\n0.500000 0.000000 0.729973 N\n0.500000 0.500000 0.000000 N\n0.000000 0.000000 0.000000 N\n0.000000 0.000000 0.500000 N\n0.500000 0.500000 0.500000 N\n",
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{
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"structure_string": "Lu1 Mn2 Ge2\n1.0\n-1.948307 1.948307 5.399258\n1.948307 -1.948307 5.399258\n1.948307 1.948307 -5.399258\nLu Mn Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Lu\n0.750000 0.250000 0.500000 Mn\n0.250000 0.750000 0.500000 Mn\n0.617128 0.617128 0.000000 Ge\n0.382872 0.382872 0.000000 Ge\n",
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{
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"structure_string": "Mg6 Cr1 Bi1 O8\n1.0\n8.918617 0.000000 0.000000\n0.000000 4.550666 0.000000\n0.000000 0.000000 4.550666\nMg Cr Bi O\n6 1 1 8\ndirect\n-0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.232733 -0.000000 0.500000 Mg\n0.767267 0.000000 0.500000 Mg\n0.232733 0.500000 0.000000 Mg\n0.767267 0.500000 -0.000000 Mg\n0.000000 -0.000000 0.000000 Cr\n0.500000 -0.000000 0.000000 Bi\n0.228496 0.000000 -0.000000 O\n0.771504 -0.000000 0.000000 O\n0.248152 0.500000 0.500000 O\n0.751848 0.500000 0.500000 O\n0.000000 -0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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{
"id": "mp-778881",
"created_at": "2022-09-04T14:39:06.337844Z",
"structure_string": "Li20 Mn8 P12 O48\n1.0\n8.922320 0.000000 0.000000\n0.000000 8.899195 0.000000\n0.000000 0.113618 12.579606\nLi Mn P O\n20 8 12 48\ndirect\n0.519467 0.200615 0.092330 Li\n0.095776 0.176814 0.446973 Li\n0.727639 0.120477 0.496491 Li\n0.645293 0.154857 0.733650 Li\n0.770078 0.042477 0.932456 Li\n0.270078 0.957523 0.067544 Li\n0.145293 0.845143 0.266350 Li\n0.227639 0.879523 0.503509 Li\n0.595776 0.823186 0.553027 Li\n0.019467 0.799385 0.907670 Li\n0.983253 0.704474 0.587894 Li\n0.406754 0.672180 0.944764 Li\n0.776670 0.636607 0.006144 Li\n0.682558 0.595894 0.239570 Li\n0.734746 0.547033 0.446073 Li\n0.234746 0.452967 0.553927 Li\n0.182558 0.404106 0.760430 Li\n0.276670 0.363393 0.993856 Li\n0.906754 0.327820 0.055236 Li\n0.483253 0.295526 0.412106 Li\n0.535318 0.991997 0.350666 Mn\n0.035318 0.008003 0.649334 Mn\n0.439801 0.994410 0.857383 Mn\n0.939801 0.005590 0.142617 Mn\n0.045837 0.499677 0.349128 Mn\n0.545837 0.500323 0.650872 Mn\n0.933923 0.498506 0.852401 Mn\n0.433923 0.501494 0.147599 Mn\n0.247718 0.196878 0.242479 P\n0.393122 0.146428 0.595173 P\n0.101685 0.150313 0.906972 P\n0.893122 0.853572 0.404827 P\n0.601685 0.849687 0.093028 P\n0.747718 0.803122 0.757521 P\n0.243470 0.698096 0.740629 P\n0.403345 0.650159 0.402850 P\n0.110816 0.648989 0.092862 P\n0.903345 0.349841 0.597150 P\n0.610816 0.351011 0.907138 P\n0.743470 0.301904 0.259371 P\n0.858746 0.218570 0.190597 O\n0.869848 0.177726 0.607940 O\n0.683152 0.208313 0.355340 O\n0.595997 0.181153 0.939676 O\n0.379120 0.163509 0.319629 O\n0.234182 0.092378 0.561178 O\n0.419665 0.126210 0.715134 O\n0.972524 0.124857 0.988998 O\n0.255485 0.094465 0.949422 O\n0.182564 0.045279 0.200392 O\n0.061291 0.068106 0.804576 O\n0.516957 0.058906 0.532868 O\n0.016957 0.941094 0.467132 O\n0.561291 0.931894 0.195424 O\n0.682564 0.954721 0.799608 O\n0.755485 0.905535 0.050578 O\n0.919665 0.873790 0.284866 O\n0.472524 0.875143 0.011002 O\n0.734182 0.907622 0.438822 O\n0.879120 0.836491 0.680371 O\n0.183152 0.791687 0.644660 O\n0.369848 0.822274 0.392060 O\n0.095997 0.818847 0.060324 O\n0.358746 0.781430 0.809403 O\n0.629560 0.717049 0.692539 O\n0.907851 0.683869 0.438008 O\n0.617320 0.675125 0.107887 O\n0.807690 0.711938 0.855851 O\n0.114443 0.650230 0.816747 O\n0.262838 0.589144 0.048412 O\n0.525120 0.625081 0.490779 O\n0.115137 0.635443 0.215579 O\n0.253205 0.573917 0.432111 O\n0.310475 0.548897 0.693921 O\n0.471838 0.584986 0.300122 O\n0.979686 0.561715 0.041150 O\n0.479686 0.438285 0.958850 O\n0.971838 0.415014 0.699878 O\n0.810475 0.451103 0.306079 O\n0.753205 0.426083 0.567889 O\n0.025120 0.374919 0.509221 O\n0.615137 0.364557 0.784421 O\n0.762838 0.410856 0.951588 O\n0.614443 0.349770 0.183253 O\n0.407851 0.316131 0.561992 O\n0.307690 0.288062 0.144149 O\n0.117320 0.324875 0.892113 O\n0.129560 0.282951 0.307461 O\n",
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{
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"structure_string": "Li8 Fe1 O5 F1\n1.0\n5.395117 0.000000 0.000000\n-2.465291 4.856965 0.000000\n-2.532022 -1.395559 5.174006\nLi Fe O F\n8 1 5 1\ndirect\n0.244979 0.474113 0.355694 Li\n0.126799 0.233000 0.658416 Li\n0.403375 0.894870 0.636084 Li\n0.721239 0.345617 0.016058 Li\n0.297623 0.675364 0.968980 Li\n0.579778 0.095598 0.346050 Li\n0.901292 0.795093 0.369498 Li\n0.756811 0.515647 0.648359 Li\n0.932531 0.948091 0.968346 Fe\n0.510022 0.600918 0.762118 O\n0.869536 0.102039 0.240753 O\n0.160046 0.768459 0.232868 O\n0.830877 0.222242 0.761842 O\n0.127856 0.899701 0.758109 O\n0.537234 0.429248 0.276826 F\n",
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{
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"structure_string": "Rb12 Co4 O8\n1.0\n6.288746 0.000000 0.000000\n0.000000 7.825803 0.000000\n0.000000 0.000000 12.438482\nRb Co O\n12 4 8\ndirect\n0.776613 0.750000 0.899483 Rb\n0.276613 0.250000 0.600517 Rb\n0.223387 0.250000 0.100517 Rb\n0.723387 0.750000 0.399483 Rb\n0.318301 0.500871 0.862364 Rb\n0.818301 0.499129 0.637636 Rb\n0.681699 0.000871 0.137636 Rb\n0.181699 0.999129 0.362364 Rb\n0.681699 0.499129 0.137636 Rb\n0.181699 0.500871 0.362364 Rb\n0.318301 0.999129 0.862364 Rb\n0.818301 0.000871 0.637636 Rb\n0.306248 0.750000 0.618910 Co\n0.193752 0.750000 0.118910 Co\n0.806248 0.250000 0.881090 Co\n0.693752 0.250000 0.381090 Co\n0.587450 0.250000 0.970725 O\n0.087450 0.750000 0.529275 O\n0.412550 0.750000 0.029275 O\n0.912550 0.250000 0.470725 O\n0.015930 0.250000 0.785725 O\n0.484070 0.250000 0.285725 O\n0.515930 0.750000 0.714275 O\n0.984070 0.750000 0.214275 O\n",
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{
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{
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"structure_string": "Li14 Mn10 O24\n1.0\n5.383464 0.048995 -2.220427\n-2.811898 5.226585 0.920420\n5.417052 -0.524882 13.395748\nLi Mn O\n14 10 24\ndirect\n0.666820 0.333454 0.166620 Li\n0.168529 0.336556 0.666253 Li\n0.166450 0.833288 0.166690 Li\n0.667549 0.833789 0.666740 Li\n0.666710 0.833267 0.166680 Li\n0.166590 0.833656 0.666619 Li\n0.342392 0.179683 0.329037 Li\n0.837284 0.173048 0.833506 Li\n0.990929 0.486860 0.004219 Li\n0.496107 0.493453 0.499754 Li\n0.848244 0.698140 0.317618 Li\n0.324666 0.658426 0.837576 Li\n0.484835 0.968060 0.015956 Li\n0.008885 0.008326 0.495880 Li\n0.166737 0.333498 0.166618 Mn\n0.490933 0.986194 0.503062 Mn\n0.842296 0.680072 0.830348 Mn\n0.503853 0.499449 0.002294 Mn\n0.829243 0.166907 0.330938 Mn\n0.666784 0.333437 0.666738 Mn\n0.991250 0.987328 0.003569 Mn\n0.342082 0.679450 0.329730 Mn\n0.995977 0.496139 0.501842 Mn\n0.336953 0.170136 0.831451 Mn\n0.011727 0.044939 0.245686 O\n0.510511 0.048342 0.745272 O\n0.321704 0.621897 0.087567 O\n0.822561 0.618215 0.588105 O\n0.644104 0.826199 0.420576 O\n0.146287 0.829122 0.915323 O\n0.186874 0.837147 0.418099 O\n0.689057 0.840121 0.912825 O\n0.478072 0.500898 0.250878 O\n0.978216 0.502313 0.750326 O\n0.855277 0.165889 0.082433 O\n0.355129 0.164176 0.583065 O\n0.137145 0.328718 0.418673 O\n0.671422 0.375166 0.905527 O\n0.661525 0.290903 0.427807 O\n0.195825 0.337741 0.914655 O\n0.305566 0.154132 0.086724 O\n0.802799 0.150151 0.588695 O\n0.027688 0.512579 0.246583 O\n0.530448 0.516459 0.744705 O\n0.812473 0.650770 0.078660 O\n0.332846 0.687937 0.572160 O\n0.520661 0.015707 0.254565 O\n0.999988 0.977866 0.761358 O\n",
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"formula_full": "Li14 Mn10 O24",
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},
{
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"structure_string": "Na2 Mo6 P6 O32\n1.0\n6.501861 0.000000 0.000000\n0.951252 7.726336 0.000000\n2.437509 1.973745 12.621334\nNa Mo P O\n2 6 6 32\ndirect\n0.599067 0.337721 0.328970 Na\n0.400933 0.662279 0.671030 Na\n0.203059 0.216284 0.539943 Mo\n0.796941 0.783716 0.460057 Mo\n0.403718 0.756981 0.163400 Mo\n0.596282 0.243019 0.836600 Mo\n0.058713 0.206479 0.144238 Mo\n0.941287 0.793521 0.855762 Mo\n0.573109 0.164561 0.101783 P\n0.426891 0.835439 0.898217 P\n0.307812 0.854908 0.421965 P\n0.692188 0.145092 0.578035 P\n0.064334 0.483646 0.316130 P\n0.935666 0.516354 0.683870 P\n0.195801 0.049001 0.644260 O\n0.804199 0.950999 0.355740 O\n0.897935 0.223279 0.521878 O\n0.102065 0.776721 0.478122 O\n0.518604 0.254985 0.520505 O\n0.481396 0.745015 0.479495 O\n0.299620 0.051453 0.428159 O\n0.700380 0.948547 0.571841 O\n0.135457 0.425026 0.622689 O\n0.864543 0.574974 0.377311 O\n0.225190 0.406371 0.388516 O\n0.774810 0.593629 0.611484 O\n0.086361 0.310845 0.017070 O\n0.913639 0.689155 0.982930 O\n0.980726 0.333766 0.271742 O\n0.019274 0.666234 0.728258 O\n0.741639 0.200687 0.165046 O\n0.258361 0.799313 0.834954 O\n0.131130 0.983018 0.137825 O\n0.868870 0.016982 0.862175 O\n0.357860 0.238362 0.161288 O\n0.642140 0.761638 0.838712 O\n0.600130 0.595232 0.184282 O\n0.399870 0.404768 0.815718 O\n0.377407 0.736379 0.011664 O\n0.622593 0.263621 0.988336 O\n0.159445 0.608449 0.217589 O\n0.840555 0.391551 0.782411 O\n0.356620 0.841227 0.303724 O\n0.643380 0.158773 0.696276 O\n0.575901 0.966725 0.102581 O\n0.424099 0.033275 0.897419 O\n",
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"formula_full": "Na2 Mo6 P6 O32",
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},
{
"id": "mp-1223348",
"created_at": "2022-09-04T14:39:07.010978Z",
"structure_string": "La10 Fe8 Ni2 O30\n1.0\n2.777192 4.866141 0.000000\n-2.777192 4.866141 0.000000\n0.000000 3.204502 22.959062\nLa Fe Ni O\n10 8 2 30\ndirect\n0.746805 0.746805 0.748645 La\n0.945089 0.945089 0.153273 La\n0.345583 0.345583 0.951755 La\n0.147180 0.147180 0.551283 La\n0.545795 0.545795 0.355023 La\n0.454205 0.454205 0.644977 La\n0.654417 0.654417 0.048245 La\n0.054911 0.054911 0.846727 La\n0.852820 0.852820 0.448717 La\n0.253195 0.253195 0.251355 La\n0.599670 0.599670 0.200892 Fe\n0.000000 0.000000 0.000000 Fe\n0.400330 0.400330 0.799108 Fe\n0.500000 0.500000 0.500000 Fe\n0.899933 0.899933 0.301299 Fe\n0.299601 0.299601 0.100784 Fe\n0.700399 0.700399 0.899216 Fe\n0.100067 0.100067 0.698701 Fe\n0.799828 0.799828 0.599718 Ni\n0.200172 0.200172 0.400282 Ni\n0.279225 0.781445 0.760112 O\n0.479956 0.979428 0.160339 O\n0.879817 0.381346 0.960215 O\n0.679533 0.180151 0.558481 O\n0.080113 0.580151 0.359027 O\n0.419849 0.919887 0.640973 O\n0.618654 0.120183 0.039785 O\n0.020572 0.520044 0.839661 O\n0.819849 0.320467 0.441519 O\n0.218555 0.720775 0.239888 O\n0.919887 0.419849 0.640973 O\n0.120183 0.618654 0.039785 O\n0.520044 0.020572 0.839661 O\n0.320467 0.819849 0.441519 O\n0.720775 0.218555 0.239888 O\n0.781445 0.279225 0.760112 O\n0.979428 0.479956 0.160339 O\n0.381346 0.879817 0.960215 O\n0.180151 0.679533 0.558481 O\n0.580151 0.080113 0.359027 O\n0.680029 0.680029 0.532111 O\n0.081888 0.081888 0.332194 O\n0.486056 0.486056 0.132142 O\n0.886805 0.886805 0.931665 O\n0.286569 0.286569 0.731842 O\n0.319971 0.319971 0.467889 O\n0.713431 0.713431 0.268158 O\n0.113195 0.113195 0.068335 O\n0.513944 0.513944 0.867858 O\n0.918112 0.918112 0.667806 O\n",
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"formula_full": "La10 Fe8 Ni2 O30",
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}
]
}