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{
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{
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},
{
"id": "mp-1045996",
"created_at": "2022-09-04T14:42:15.591536Z",
"structure_string": "Ba2 Tl1 Sb2 O7\n1.0\n3.952815 0.000000 0.000000\n0.000000 3.952815 0.000000\n0.000000 0.000000 13.492168\nBa Tl Sb O\n2 1 2 7\ndirect\n0.500000 0.500000 0.692694 Ba\n0.500000 0.500000 0.307306 Ba\n0.000000 0.000000 0.500000 Tl\n0.000000 0.000000 0.888523 Sb\n0.000000 0.000000 0.111477 Sb\n0.500000 0.500000 0.500000 O\n0.000000 0.500000 0.851238 O\n0.500000 0.000000 0.851238 O\n0.000000 0.500000 0.148762 O\n0.500000 0.000000 0.148762 O\n0.000000 0.000000 0.656353 O\n0.000000 0.000000 0.343647 O\n",
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"formula_full": "Ba2 Tl1 Sb2 O7",
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{
"id": "mp-674509",
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"structure_string": "W43 N38\n1.0\n2.804259 -0.027845 7.434025\n1.329968 2.468973 7.434025\n-0.199087 -0.117554 151.286325\nW N\n43 38\ndirect\n0.009625 0.009625 0.000027 W\n0.001850 0.001850 0.052391 W\n0.118665 0.118665 0.059004 W\n0.036383 0.036383 0.102739 W\n0.878711 0.878711 0.046328 W\n0.996952 0.996952 0.159442 W\n0.867799 0.867799 0.100290 W\n0.009723 0.009723 0.210437 W\n0.877948 0.877948 0.152037 W\n0.874630 0.874630 0.204905 W\n0.008414 0.008414 0.315861 W\n0.008159 0.008159 0.263536 W\n0.874473 0.874473 0.257434 W\n0.876021 0.876021 0.309896 W\n0.012772 0.012772 0.420769 W\n0.011908 0.011908 0.368259 W\n0.875691 0.875691 0.362557 W\n0.875708 0.875708 0.415189 W\n0.012468 0.012468 0.473435 W\n0.874563 0.874563 0.467963 W\n0.014152 0.014152 0.525867 W\n0.872716 0.872716 0.520856 W\n0.994445 0.994445 0.633015 W\n0.011982 0.011982 0.579008 W\n0.872329 0.872329 0.573599 W\n0.111941 0.111941 0.691165 W\n0.875831 0.875831 0.625557 W\n0.875746 0.875746 0.678015 W\n0.002120 0.002120 0.789259 W\n0.011791 0.011791 0.736671 W\n0.000332 0.000332 0.684023 W\n0.115505 0.115505 0.796196 W\n0.867708 0.867708 0.731630 W\n0.017790 0.017790 0.841345 W\n0.876184 0.876184 0.783407 W\n0.125025 0.125025 0.900451 W\n0.872331 0.872331 0.836411 W\n-0.000270 -0.000270 0.894773 W\n0.113152 0.113152 0.954222 W\n0.884589 0.884589 0.887887 W\n0.005815 0.005815 0.946631 W\n0.876232 0.876232 0.941270 W\n0.866331 0.866331 0.995141 W\n0.281442 0.281442 0.013307 N\n0.270279 0.270279 0.066994 N\n0.724647 0.724647 0.038400 N\n0.277347 0.277347 0.118991 N\n0.745750 0.745750 0.089154 N\n0.272867 0.272867 0.172187 N\n0.729503 0.729503 0.141805 N\n0.270213 0.270213 0.224905 N\n0.721847 0.721847 0.196166 N\n0.272492 0.272492 0.277288 N\n0.717647 0.717647 0.248956 N\n0.272566 0.272566 0.329901 N\n0.719636 0.719636 0.301482 N\n0.272677 0.272677 0.382502 N\n0.718687 0.718687 0.354186 N\n0.271659 0.271659 0.435237 N\n0.720240 0.720240 0.406672 N\n0.271059 0.271059 0.487970 N\n0.720386 0.720386 0.459236 N\n0.270767 0.270767 0.540706 N\n0.719427 0.719427 0.511972 N\n0.268902 0.268902 0.593570 N\n0.717421 0.717421 0.564822 N\n0.278158 0.278158 0.645001 N\n0.714091 0.714091 0.617526 N\n0.268633 0.268633 0.698631 N\n0.712097 0.712097 0.671285 N\n0.281402 0.281402 0.750054 N\n0.733814 0.733814 0.721583 N\n0.269069 0.269069 0.803993 N\n0.719909 0.719909 0.775720 N\n0.281550 0.281550 0.855585 N\n0.738106 0.738106 0.826497 N\n0.277235 0.277235 0.908368 N\n0.722788 0.722788 0.880731 N\n0.269115 0.269115 0.961920 N\n0.722809 0.722809 0.933628 N\n0.737525 0.737525 0.984167 N\n",
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"formula_full": "W43 N38",
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{
"id": "mp-1182576",
"created_at": "2022-09-04T14:42:14.408876Z",
"structure_string": "Ba2 O20\n1.0\n5.925285 0.000000 0.000000\n0.000000 5.925285 0.000000\n0.000000 0.000000 9.556726\nBa O\n2 20\ndirect\n0.000000 0.000000 0.250000 Ba\n0.000000 0.000000 0.750000 Ba\n0.500000 0.500000 0.315373 O\n0.500000 0.500000 0.815373 O\n0.500000 0.500000 0.684627 O\n0.500000 0.500000 0.184627 O\n0.106109 0.357262 0.433406 O\n0.893891 0.642738 0.433406 O\n0.642738 0.106109 0.433406 O\n0.357262 0.893891 0.433406 O\n0.893891 0.357262 0.933406 O\n0.106109 0.642738 0.933406 O\n0.357262 0.106109 0.933406 O\n0.642738 0.893891 0.933406 O\n0.893891 0.642738 0.566594 O\n0.106109 0.357262 0.566594 O\n0.357262 0.893891 0.566594 O\n0.642738 0.106109 0.566594 O\n0.106109 0.642738 0.066594 O\n0.893891 0.357262 0.066594 O\n0.642738 0.893891 0.066594 O\n0.357262 0.106109 0.066594 O\n",
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{
"id": "mp-1218900",
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"structure_string": "Sr1 Fe2 S4\n1.0\n-3.769618 3.769618 2.652919\n3.769618 -3.769618 2.652919\n3.769618 3.769618 -2.652919\nSr Fe S\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.591384 0.408616 0.500000 S\n0.091384 0.591384 0.182768 S\n0.408616 0.908616 0.817232 S\n0.908616 0.091384 0.500000 S\n",
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{
"id": "mp-1244999",
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"structure_string": "Ga50 As50\n1.0\n12.967856 0.072506 0.182778\n0.074425 13.628192 0.267229\n0.192482 0.289356 13.178143\nGa As\n50 50\ndirect\n0.516646 0.455449 0.938274 Ga\n0.299193 0.621253 0.100418 Ga\n0.636609 0.407903 0.219219 Ga\n0.050811 0.871060 0.918712 Ga\n0.801103 0.717470 0.049909 Ga\n0.131539 0.372637 0.668824 Ga\n0.581891 0.260983 0.405035 Ga\n0.027195 0.644951 0.805210 Ga\n0.908665 0.042362 0.657044 Ga\n0.977310 0.626154 -0.000301 Ga\n0.021352 0.307046 0.038059 Ga\n0.099020 0.502415 0.084917 Ga\n0.441728 0.250925 0.558528 Ga\n0.918872 0.131930 0.058390 Ga\n0.657600 0.760214 0.599468 Ga\n0.813370 0.114323 0.819415 Ga\n0.891279 0.412157 0.397065 Ga\n0.231378 0.057963 0.420883 Ga\n0.489201 0.519920 0.746525 Ga\n0.246552 0.274778 0.495706 Ga\n0.768713 0.027609 0.995150 Ga\n0.927344 0.537523 0.682173 Ga\n0.387159 0.126056 0.726010 Ga\n0.229968 0.475712 0.527924 Ga\n0.474827 0.443686 0.490420 Ga\n0.251936 0.257015 0.165396 Ga\n0.004278 0.181427 0.865409 Ga\n0.982586 0.806570 0.129949 Ga\n0.034017 0.076000 0.389241 Ga\n0.657941 0.921122 0.330712 Ga\n0.780523 0.792919 0.431720 Ga\n0.644827 0.410518 0.595004 Ga\n0.805490 0.700387 0.255795 Ga\n0.533424 0.672202 0.473100 Ga\n0.780908 0.911466 0.162492 Ga\n0.276395 0.759922 0.343284 Ga\n0.561141 0.332807 0.772355 Ga\n0.804192 0.616130 0.855732 Ga\n0.837037 0.477099 0.054133 Ga\n0.239423 0.478125 0.335024 Ga\n0.510975 0.672537 0.112564 Ga\n0.422444 0.999749 0.545930 Ga\n0.587401 0.126338 0.779831 Ga\n0.423064 0.651629 0.915400 Ga\n0.658622 0.945793 0.847998 Ga\n0.797674 0.036783 0.413472 Ga\n0.127713 0.009940 0.095121 Ga\n0.078890 0.938069 0.691606 Ga\n0.369566 0.804036 0.527338 Ga\n0.636078 0.761014 0.935410 Ga\n0.130475 0.024675 0.858576 As\n0.471228 0.883686 0.299805 As\n0.353175 0.297196 0.797614 As\n0.824398 0.293337 0.128637 As\n0.062610 0.199224 0.655347 As\n0.270184 0.893345 0.153016 As\n0.910614 0.419899 0.861665 As\n0.449196 0.652986 0.301041 As\n0.745392 0.195856 0.310044 As\n0.375267 0.051307 0.129634 As\n0.762941 0.299520 0.824548 As\n0.162859 0.731941 0.975759 As\n0.742193 0.912728 0.669174 As\n0.573580 0.854788 0.132675 As\n0.223602 0.101736 0.615340 As\n0.051860 0.248517 0.469134 As\n0.114348 0.371312 0.227497 As\n0.627940 0.999165 0.541150 As\n0.624866 0.087594 0.224426 As\n0.948411 0.274036 0.274534 As\n0.798777 0.513769 0.258310 As\n0.062430 0.859910 0.345841 As\n0.383769 0.577431 0.594237 As\n0.861303 0.865677 0.924536 As\n0.835356 0.193044 0.547099 As\n0.227783 0.675519 0.806163 As\n0.687327 0.536050 0.443511 As\n0.334054 0.207649 0.332916 As\n0.247748 0.831963 0.700455 As\n0.976714 0.003511 0.219634 As\n0.470042 0.073113 0.350739 As\n0.941392 0.916251 0.485463 As\n0.440164 0.469916 0.302658 As\n0.934372 0.807520 0.754196 As\n0.243054 0.143499 0.024519 As\n0.251877 0.476468 0.956667 As\n0.647226 0.171502 0.591796 As\n0.493726 0.969331 0.002519 As\n0.368055 0.388998 0.075670 As\n0.635134 0.529234 0.057874 As\n0.344614 0.843631 0.981924 As\n0.127599 0.349478 0.865382 As\n0.744529 0.586496 0.616221 As\n0.019777 0.475380 0.527137 As\n0.614589 0.662579 0.769232 As\n0.307797 0.956098 0.824836 As\n0.820911 0.346940 0.648931 As\n0.458177 0.270365 0.951760 As\n0.162239 0.631034 0.247620 As\n0.989386 0.695285 0.328342 As\n",
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"formula_full": "Ga50 As50",
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},
{
"id": "mp-1073530",
"created_at": "2022-09-04T14:42:15.674281Z",
"structure_string": "Mg4 Si8\n1.0\n4.346943 0.000000 0.000000\n-0.628445 5.617859 0.000000\n-1.400054 -2.064857 9.816475\nMg Si\n4 8\ndirect\n0.106762 0.894260 0.815450 Mg\n0.124528 0.649961 0.178264 Mg\n0.560017 0.377619 0.349775 Mg\n0.517628 0.976594 0.557288 Mg\n0.154624 0.168508 0.086823 Si\n0.585257 0.589204 0.920210 Si\n0.980759 0.388752 0.662372 Si\n0.704944 0.834485 0.306950 Si\n0.058977 0.386156 0.904512 Si\n0.634323 0.958552 0.090851 Si\n0.052939 0.174221 0.445241 Si\n0.519422 0.601669 0.682553 Si\n",
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"formula_full": "Mg4 Si8",
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}