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{
"id": "mp-11131",
"created_at": "2022-09-04T14:44:10.004079Z",
"structure_string": "K2 Hg3 Ge2 S8\n1.0\n4.353229 4.897772 0.000000\n-4.353229 4.897772 0.000000\n0.000000 0.814004 9.852152\nK Hg Ge S\n2 3 2 8\ndirect\n0.933290 0.633790 0.230123 K\n0.366210 0.066710 0.769877 K\n0.524089 0.475911 0.000000 Hg\n0.843149 0.156851 0.500000 Hg\n0.360052 0.639948 0.500000 Hg\n0.895323 0.569823 0.725233 Ge\n0.430177 0.104677 0.274767 Ge\n0.285239 0.244361 0.081308 S\n0.755639 0.714761 0.918692 S\n0.840955 0.235881 0.741272 S\n0.764119 0.159045 0.258728 S\n0.393554 0.768086 0.260758 S\n0.270329 0.230047 0.458394 S\n0.769953 0.729671 0.541606 S\n0.231914 0.606446 0.739242 S\n",
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{
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"structure_string": "K4 Ga4 Sb16\n1.0\n4.275338 0.000000 0.000000\n0.000000 10.570687 0.000000\n0.000000 0.000000 18.212415\nK Ga Sb\n4 4 16\ndirect\n0.750000 0.178401 0.434453 K\n0.250000 0.821599 0.565547 K\n0.750000 0.678401 0.065547 K\n0.250000 0.321599 0.934453 K\n0.750000 0.317257 0.630936 Ga\n0.250000 0.682743 0.369064 Ga\n0.750000 0.817257 0.869064 Ga\n0.250000 0.182743 0.130936 Ga\n0.750000 0.830739 0.397936 Sb\n0.250000 0.169261 0.602064 Sb\n0.750000 0.330739 0.102064 Sb\n0.250000 0.669261 0.897936 Sb\n0.750000 0.388761 0.773329 Sb\n0.250000 0.611239 0.226671 Sb\n0.750000 0.888761 0.726671 Sb\n0.250000 0.111239 0.273329 Sb\n0.750000 0.533479 0.550262 Sb\n0.250000 0.466521 0.449738 Sb\n0.750000 0.033479 0.949738 Sb\n0.250000 0.966521 0.050262 Sb\n0.750000 0.929028 0.250984 Sb\n0.250000 0.070972 0.749016 Sb\n0.750000 0.429028 0.249016 Sb\n0.250000 0.570972 0.750984 Sb\n",
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{
"id": "mp-1205386",
"created_at": "2022-09-04T14:44:09.615342Z",
"structure_string": "Sr4 Al8 Si8 O32\n1.0\n6.566729 6.613119 0.000000\n-6.566729 6.613119 0.000000\n0.000000 1.453291 8.315251\nSr Al Si O\n4 8 8 32\ndirect\n0.566955 0.064295 0.700467 Sr\n0.935705 0.433045 0.799533 Sr\n0.433045 0.935705 0.299533 Sr\n0.064295 0.566955 0.200467 Sr\n0.793910 0.939759 0.384260 Al\n0.060241 0.206090 0.115740 Al\n0.206090 0.060241 0.615740 Al\n0.939759 0.793910 0.884260 Al\n0.708474 0.450543 0.479199 Al\n0.549457 0.291526 0.020801 Al\n0.291526 0.549457 0.520801 Al\n0.450543 0.708474 0.979199 Al\n0.566413 0.718055 0.602951 Si\n0.281945 0.433587 0.897049 Si\n0.433587 0.281945 0.397049 Si\n0.718055 0.566413 0.102951 Si\n0.940916 0.214992 0.489391 Si\n0.785008 0.059084 0.010609 Si\n0.059084 0.785008 0.510609 Si\n0.214992 0.940916 0.989391 Si\n0.628764 0.871067 0.496180 O\n0.128933 0.371236 0.003820 O\n0.371236 0.128933 0.503820 O\n0.871067 0.628764 0.996180 O\n0.854827 0.355505 0.557152 O\n0.644495 0.145173 0.942848 O\n0.145173 0.644495 0.442848 O\n0.355505 0.854827 0.057152 O\n0.984760 0.735081 0.694784 O\n0.264919 0.015240 0.805216 O\n0.015240 0.264919 0.305216 O\n0.735081 0.984760 0.194784 O\n0.519036 0.769949 0.779617 O\n0.230051 0.480964 0.720383 O\n0.480964 0.230051 0.220383 O\n0.769949 0.519036 0.279617 O\n0.940476 0.822598 0.384555 O\n0.177402 0.059524 0.115445 O\n0.059524 0.177402 0.615445 O\n0.822598 0.940476 0.884555 O\n0.679933 0.584825 0.608690 O\n0.415175 0.320067 0.891310 O\n0.320067 0.415175 0.391310 O\n0.584825 0.679933 0.108690 O\n0.822300 0.085609 0.493132 O\n0.914391 0.177700 0.006868 O\n0.177700 0.914391 0.506868 O\n0.085609 0.822300 0.993132 O\n0.569160 0.322531 0.491128 O\n0.677469 0.430840 0.008872 O\n0.430840 0.677469 0.508872 O\n0.322531 0.569160 0.991128 O\n",
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"formula_full": "Sr4 Al8 Si8 O32",
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{
"id": "mp-1173830",
"created_at": "2022-09-04T14:44:11.197716Z",
"structure_string": "Na24 Ga4 As12\n1.0\n8.323858 -0.046404 -1.162062\n-4.237741 7.150507 -0.803191\n0.599226 0.816858 16.337446\nNa Ga As\n24 4 12\ndirect\n0.021025 0.838517 0.070962 Na\n0.140799 0.969347 0.419834 Na\n0.078760 0.565820 0.188486 Na\n0.041957 0.233879 0.301031 Na\n0.360934 0.854665 0.530806 Na\n0.211671 0.445928 0.689173 Na\n0.439306 0.947531 0.301841 Na\n0.200193 0.358496 0.500487 Na\n0.310420 0.508590 0.062460 Na\n0.289078 0.157350 0.800467 Na\n0.645150 0.842303 0.001717 Na\n0.627800 0.745385 0.796387 Na\n0.375425 0.251486 0.202582 Na\n0.354523 0.158269 0.997589 Na\n0.706215 0.845872 0.197513 Na\n0.687991 0.491991 0.936860 Na\n0.816233 0.655535 0.504839 Na\n0.558231 0.053830 0.707047 Na\n0.787533 0.572473 0.305611 Na\n0.971512 0.761008 0.694832 Na\n0.789393 0.279051 0.440467 Na\n0.921564 0.433887 0.812488 Na\n0.847912 0.031680 0.577689 Na\n0.978841 0.160789 0.928290 Na\n0.295481 0.798712 0.908816 Ga\n0.470178 0.633941 0.404446 Ga\n0.529234 0.354136 0.591959 Ga\n0.703812 0.201261 0.092087 Ga\n0.006608 0.820219 0.879021 As\n0.154222 0.612790 0.372985 As\n0.396119 0.897450 0.104806 As\n0.307682 0.502910 0.879307 As\n0.228508 0.081980 0.614735 As\n0.542444 0.671517 0.602452 As\n0.464936 0.323398 0.400054 As\n0.765249 0.915572 0.382102 As\n0.692362 0.498269 0.119851 As\n0.603816 0.103716 0.897442 As\n0.836147 0.373379 0.626120 As\n0.993835 0.179766 0.119440 As\n",
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"volume": 983.6742287944189,
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"formula_full": "Na24 Ga4 As12",
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},
{
"id": "mp-1222787",
"created_at": "2022-09-04T14:44:11.433575Z",
"structure_string": "La2 Ti2 Nb2 O12\n1.0\n4.473578 5.638809 0.000000\n-4.473578 5.638809 0.000000\n0.000000 2.263374 4.816563\nLa Ti Nb O\n2 2 2 12\ndirect\n0.189129 0.810871 0.500000 La\n0.811574 0.188426 0.000000 La\n0.651138 0.816542 0.799872 Ti\n0.183458 0.348862 0.200128 Ti\n0.350492 0.188580 0.695754 Nb\n0.811420 0.649508 0.304246 Nb\n0.898560 0.821447 0.900963 O\n0.178553 0.101440 0.099037 O\n0.099930 0.179903 0.595512 O\n0.820097 0.900070 0.404488 O\n0.556086 0.722218 0.209654 O\n0.277782 0.443914 0.790346 O\n0.440774 0.280032 0.282510 O\n0.719968 0.559226 0.717490 O\n0.115096 0.596705 0.278396 O\n0.403295 0.884904 0.721604 O\n0.887945 0.395296 0.222166 O\n0.604704 0.112055 0.777834 O\n",
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"formula_full": "La2 Ti2 Nb2 O12",
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{
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"structure_string": "Tm2 I6\n1.0\n5.845650 -10.124963 0.000000\n5.845650 10.124963 0.000000\n0.000000 0.000000 3.951988\nTm I\n2 6\ndirect\n0.333333 0.666667 0.750000 Tm\n0.666667 0.333333 0.250000 Tm\n0.219991 0.439983 0.250000 I\n0.560017 0.780009 0.250000 I\n0.219991 0.780009 0.250000 I\n0.780009 0.560017 0.750000 I\n0.439983 0.219991 0.750000 I\n0.780009 0.219991 0.750000 I\n",
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{
"id": "mp-1221164",
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"structure_string": "Na10 U10 O36\n1.0\n9.912824 6.217198 0.000000\n-9.912824 6.217198 0.000000\n0.000000 1.319427 6.768014\nNa U O\n10 10 36\ndirect\n0.551196 0.448220 0.757578 Na\n0.448220 0.551196 0.257578 Na\n0.057161 0.944195 0.250306 Na\n0.944195 0.057161 0.750306 Na\n0.140392 0.860067 0.751004 Na\n0.860067 0.140392 0.251004 Na\n0.251022 0.750034 0.253628 Na\n0.750034 0.251022 0.753628 Na\n0.653627 0.366480 0.275067 Na\n0.366480 0.653627 0.775067 Na\n0.908656 0.603184 0.530540 U\n0.397725 0.092227 0.971060 U\n0.092227 0.397725 0.471060 U\n0.603184 0.908656 0.030540 U\n0.000903 0.501224 0.000714 U\n0.501224 0.000903 0.500714 U\n0.795534 0.708009 0.993381 U\n0.292974 0.205364 0.507782 U\n0.205364 0.292974 0.007782 U\n0.708009 0.795534 0.493381 U\n0.788785 0.689728 0.670668 O\n0.310108 0.211214 0.830859 O\n0.211214 0.310108 0.330859 O\n0.689728 0.788785 0.170668 O\n0.755181 0.447579 0.576826 O\n0.552537 0.244730 0.918987 O\n0.244730 0.552537 0.418987 O\n0.447579 0.755181 0.076826 O\n0.646653 0.546513 0.051680 O\n0.453947 0.354916 0.452968 O\n0.354916 0.453947 0.952968 O\n0.546513 0.646653 0.551680 O\n0.063819 0.758806 0.476532 O\n0.242259 0.937023 0.025175 O\n0.937023 0.242259 0.525175 O\n0.758806 0.063819 0.976532 O\n0.840917 0.679268 0.288121 O\n0.320592 0.160166 0.212755 O\n0.160166 0.320592 0.712755 O\n0.679268 0.840917 0.788121 O\n0.924358 0.625568 0.882905 O\n0.376057 0.077101 0.617213 O\n0.077101 0.376057 0.117213 O\n0.625568 0.924358 0.382905 O\n0.942269 0.869311 0.933806 O\n0.131885 0.058180 0.567056 O\n0.058180 0.131885 0.067056 O\n0.869311 0.942269 0.433806 O\n0.168793 0.640203 0.942218 O\n0.363007 0.832461 0.561895 O\n0.832461 0.363007 0.061895 O\n0.640203 0.168793 0.442218 O\n0.003282 0.475750 0.689535 O\n0.525263 0.997172 0.812542 O\n0.997172 0.525263 0.312542 O\n0.475750 0.003282 0.189535 O\n",
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"formula_full": "Na10 U10 O36",
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{
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"structure_string": "Na8 Bi4 C8 S2 O32\n1.0\n10.209441 0.000000 0.000000\n-0.175120 10.279581 0.000000\n-4.953178 -5.063206 7.464137\nNa Bi C S O\n8 4 8 2 32\ndirect\n0.834392 0.080049 0.760915 Na\n0.836021 0.081185 0.154270 Na\n0.426233 0.076621 0.750959 Na\n0.566737 0.328324 0.252205 Na\n0.826482 0.671955 0.750782 Na\n0.419590 0.662271 0.734962 Na\n0.569615 0.924295 0.253728 Na\n0.185586 0.922894 0.252251 Na\n0.004012 0.502890 0.499085 Bi\n0.006606 0.495805 0.005997 Bi\n0.495307 0.499893 0.998364 Bi\n0.004119 0.999952 0.506186 Bi\n0.836518 0.276162 0.556989 C\n0.770946 0.326071 0.056551 C\n0.771239 0.716357 0.438677 C\n0.782694 0.733757 0.061867 C\n0.218830 0.278516 0.559058 C\n0.218865 0.272496 0.934832 C\n0.220556 0.665725 0.936763 C\n0.169870 0.730362 0.444111 C\n0.377181 0.123379 0.251683 S\n0.629942 0.878470 0.757602 S\n0.825682 0.144935 0.428489 O\n0.889022 0.322020 0.039475 O\n0.852578 0.284403 0.693208 O\n0.782874 0.324060 0.187706 O\n0.832381 0.398482 0.546678 O\n0.434724 0.057880 0.366008 O\n0.445741 0.068446 0.139695 O\n0.640033 0.327729 0.941350 O\n0.886919 0.710721 0.564863 O\n0.797960 0.617199 0.947599 O\n0.201586 0.059728 0.135189 O\n0.436350 0.297989 0.366804 O\n0.351055 0.270684 0.943208 O\n0.221581 0.146351 0.549123 O\n0.899347 0.866542 0.189390 O\n0.652085 0.588946 0.301055 O\n0.339085 0.404815 0.687375 O\n0.092191 0.150621 0.806863 O\n0.648535 0.721842 0.049683 O\n0.775762 0.848698 0.450002 O\n0.575684 0.703613 0.646059 O\n0.808189 0.937715 0.875574 O\n0.090777 0.280064 0.439692 O\n0.217114 0.398703 0.053807 O\n0.352925 0.678672 0.064166 O\n0.575472 0.944167 0.646908 O\n0.568623 0.934959 0.875780 O\n0.178106 0.612178 0.458980 O\n0.211688 0.651311 0.799880 O\n0.148047 0.719022 0.303367 O\n0.097462 0.666356 0.946167 O\n0.182634 0.863722 0.571567 O\n",
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