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{
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{
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{
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{
"id": "mp-1221042",
"created_at": "2022-09-04T14:39:50.053159Z",
"structure_string": "Na2 Ga12 Ag2 Te20\n1.0\n7.394894 7.358296 0.000000\n-7.394894 7.358296 0.000000\n0.000000 0.112467 10.460841\nNa Ga Ag Te\n2 12 2 20\ndirect\n0.499094 0.500906 0.500000 Na\n0.239056 0.760944 0.000000 Na\n0.425617 0.159984 0.878955 Ga\n0.159617 0.121089 0.575212 Ga\n0.122499 0.426830 0.840024 Ga\n0.878911 0.840383 0.424788 Ga\n0.573170 0.877501 0.159976 Ga\n0.840016 0.574383 0.121045 Ga\n0.661772 0.250727 0.165646 Ga\n0.252533 0.832937 0.339581 Ga\n0.833376 0.660125 0.749459 Ga\n0.167063 0.747467 0.660419 Ga\n0.339875 0.166624 0.250541 Ga\n0.749273 0.338228 0.834354 Ga\n0.698903 0.000109 0.699084 Ag\n0.999891 0.301097 0.300916 Ag\n0.170478 0.170893 0.829288 Te\n0.829107 0.829522 0.170712 Te\n0.431519 0.328884 0.070263 Te\n0.328253 0.929723 0.567984 Te\n0.929551 0.431820 0.671874 Te\n0.070277 0.671747 0.432016 Te\n0.568180 0.070449 0.328126 Te\n0.671116 0.568481 0.929737 Te\n0.570001 0.241819 0.682804 Te\n0.241152 0.316476 0.429095 Te\n0.317335 0.569259 0.755357 Te\n0.683524 0.758848 0.570905 Te\n0.430741 0.682665 0.244643 Te\n0.758181 0.429999 0.317196 Te\n0.997403 0.832109 0.826172 Te\n0.829340 0.170660 0.000000 Te\n0.167891 0.002597 0.173828 Te\n0.502511 0.921031 0.917951 Te\n0.918832 0.081168 0.500000 Te\n0.078969 0.497489 0.082049 Te\n",
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"spacegroup": 5
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{
"id": "mp-27760",
"created_at": "2022-09-04T14:39:10.667332Z",
"structure_string": "Pr2 Si4\n1.0\n-2.114961 2.114961 7.081787\n2.114961 -2.114961 7.081787\n2.114961 2.114961 -7.081787\nPr Si\n2 4\ndirect\n0.750000 0.250000 0.500000 Pr\n0.000000 0.000000 0.000000 Pr\n0.166184 0.666184 0.500000 Si\n0.583816 0.583816 0.000000 Si\n0.333816 0.833816 0.500000 Si\n0.416184 0.416184 0.000000 Si\n",
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{
"id": "mp-1215056",
"created_at": "2022-09-04T14:39:07.956498Z",
"structure_string": "Ba3 Mn15 S18 O72\n1.0\n7.441670 -12.889351 0.000000\n7.441670 12.889351 0.000000\n0.000000 0.000000 7.715777\nBa Mn S O\n3 15 18 72\ndirect\n0.666667 0.333333 0.997804 Ba\n0.333333 0.666667 0.002196 Ba\n0.000000 0.000000 0.500000 Ba\n0.996581 0.345009 0.963264 Mn\n0.003419 0.654991 0.036736 Mn\n0.348428 0.003419 0.963264 Mn\n0.651572 0.996581 0.036736 Mn\n0.654991 0.651572 0.963264 Mn\n0.345009 0.348428 0.036736 Mn\n0.678395 0.681381 0.546995 Mn\n0.321605 0.318619 0.453005 Mn\n0.002986 0.321605 0.546995 Mn\n0.997014 0.678395 0.453005 Mn\n0.318619 0.997014 0.546995 Mn\n0.681381 0.002986 0.453005 Mn\n0.666667 0.333333 0.497149 Mn\n0.333333 0.666667 0.502851 Mn\n0.000000 0.000000 0.000000 Mn\n0.869164 0.097122 0.760111 S\n0.130836 0.902878 0.239889 S\n0.227958 0.130836 0.760111 S\n0.772042 0.869164 0.239889 S\n0.902878 0.772042 0.760111 S\n0.097122 0.227958 0.239889 S\n0.560161 0.794250 0.741725 S\n0.439839 0.205750 0.258275 S\n0.234090 0.439839 0.741725 S\n0.765910 0.560161 0.258275 S\n0.205750 0.765910 0.741725 S\n0.794250 0.234090 0.258275 S\n0.893559 0.462386 0.737753 S\n0.106441 0.537614 0.262247 S\n0.568828 0.106441 0.737753 S\n0.431172 0.893559 0.262247 S\n0.537614 0.431172 0.737753 S\n0.462386 0.568828 0.262247 S\n0.454721 0.704315 0.706833 O\n0.545279 0.295685 0.293167 O\n0.249594 0.545279 0.706833 O\n0.750406 0.454721 0.293167 O\n0.295685 0.750406 0.706833 O\n0.704315 0.249594 0.293167 O\n0.892177 0.505086 0.912742 O\n0.107823 0.494914 0.087258 O\n0.612910 0.107823 0.912742 O\n0.387090 0.892177 0.087258 O\n0.494914 0.387090 0.912742 O\n0.505086 0.612910 0.087258 O\n0.833255 0.056666 0.580679 O\n0.166745 0.943334 0.419321 O\n0.223411 0.166745 0.580679 O\n0.776589 0.833255 0.419321 O\n0.943334 0.776589 0.580679 O\n0.056666 0.223411 0.419321 O\n0.619234 0.078305 0.602087 O\n0.380766 0.921695 0.397913 O\n0.459071 0.380766 0.602087 O\n0.540929 0.619234 0.397913 O\n0.921695 0.540929 0.602087 O\n0.078305 0.459071 0.397913 O\n0.957354 0.080278 0.802605 O\n0.042646 0.919722 0.197395 O\n0.122924 0.042646 0.802605 O\n0.877076 0.957354 0.197395 O\n0.919722 0.877076 0.802605 O\n0.080278 0.122924 0.197395 O\n0.969557 0.423693 0.743752 O\n0.030443 0.576307 0.256248 O\n0.454136 0.030443 0.743752 O\n0.545864 0.969557 0.256248 O\n0.576307 0.545864 0.743752 O\n0.423693 0.454136 0.256248 O\n0.908514 0.211872 0.761467 O\n0.091486 0.788128 0.238533 O\n0.303357 0.091486 0.761467 O\n0.696643 0.908514 0.238533 O\n0.788128 0.696643 0.761467 O\n0.211872 0.303357 0.238533 O\n0.556216 0.843401 0.908002 O\n0.443784 0.156599 0.091998 O\n0.287185 0.443784 0.908002 O\n0.712815 0.556216 0.091998 O\n0.156599 0.712815 0.908002 O\n0.843401 0.287185 0.091998 O\n0.592002 0.866894 0.595745 O\n0.407998 0.133106 0.404255 O\n0.274891 0.407998 0.595745 O\n0.725109 0.592002 0.404255 O\n0.133106 0.725109 0.595745 O\n0.866894 0.274891 0.404255 O\n0.788322 0.372549 0.701801 O\n0.211678 0.627451 0.298199 O\n0.584227 0.211678 0.701801 O\n0.415773 0.788322 0.298199 O\n0.627451 0.415773 0.701801 O\n0.372549 0.584227 0.298199 O\n0.634919 0.754430 0.760134 O\n0.365081 0.245570 0.239866 O\n0.119511 0.365081 0.760134 O\n0.880489 0.634919 0.239866 O\n0.245570 0.880489 0.760134 O\n0.754430 0.119511 0.239866 O\n0.784903 0.043166 0.885657 O\n0.215097 0.956834 0.114343 O\n0.258263 0.215097 0.885657 O\n0.741737 0.784903 0.114343 O\n0.956834 0.741737 0.885657 O\n0.043166 0.258263 0.114343 O\n",
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{
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"structure_string": "Li20 B54 O1\n1.0\n8.196336 0.000000 0.000000\n4.094816 7.117155 0.000000\n0.041712 0.012340 12.515723\nLi B O\n20 54 1\ndirect\n0.077958 0.858464 0.839045 Li\n0.943250 0.955602 0.477241 Li\n0.878501 0.804558 0.321950 Li\n0.927007 0.024114 0.181333 Li\n0.667897 0.664250 0.997384 Li\n0.644875 0.709983 0.675845 Li\n0.640001 0.675059 0.331539 Li\n0.164674 0.669393 0.020624 Li\n0.221315 0.726780 0.324460 Li\n0.813062 0.374702 0.669732 Li\n0.878733 0.300464 0.334641 Li\n0.335690 0.324010 0.987769 Li\n0.315329 0.338385 0.329513 Li\n0.151291 0.152633 0.002484 Li\n0.234606 0.532542 0.665309 Li\n0.212849 0.194134 0.666457 Li\n0.218532 0.042014 0.330101 Li\n0.689381 0.156633 0.991078 Li\n0.677724 0.155490 0.333132 Li\n0.589565 0.196459 0.668664 Li\n0.495931 0.005376 0.736440 B\n0.508105 0.999644 0.400505 B\n0.501193 0.995877 0.068394 B\n0.445736 0.882216 0.834772 B\n0.457819 0.875168 0.497652 B\n0.458955 0.868663 0.168802 B\n0.444951 0.677095 0.835589 B\n0.456848 0.669724 0.496442 B\n0.459837 0.661035 0.169265 B\n0.668232 0.881630 0.834924 B\n0.676231 0.877019 0.500350 B\n0.678673 0.868800 0.164269 B\n0.510851 0.489053 0.401222 B\n0.875472 0.677267 0.835956 B\n0.880935 0.671721 0.499299 B\n0.883551 0.662078 0.164655 B\n0.666050 0.460106 0.836508 B\n0.678135 0.442750 0.164690 B\n0.674962 0.451388 0.499773 B\n0.872188 0.460097 0.836852 B\n0.879218 0.452951 0.500447 B\n0.883319 0.443226 0.165173 B\n0.002487 0.498099 0.933527 B\n0.999624 0.500636 0.597841 B\n0.999010 0.493573 0.265554 B\n0.996136 0.503269 0.735949 B\n0.010332 0.490260 0.069556 B\n0.998372 0.497992 0.401181 B\n0.129424 0.537916 0.171924 B\n0.119171 0.551665 0.834114 B\n0.125032 0.547983 0.497070 B\n0.327629 0.551321 0.834141 B\n0.334532 0.546116 0.497641 B\n0.338412 0.534647 0.170931 B\n0.118465 0.332021 0.834511 B\n0.126465 0.328737 0.497243 B\n0.128573 0.319964 0.169741 B\n0.500677 0.504165 0.735802 B\n0.501078 0.494149 0.069412 B\n0.497556 0.499987 0.933329 B\n0.512904 0.483976 0.265474 B\n0.502714 0.502658 0.597594 B\n0.324373 0.125312 0.835348 B\n0.333731 0.122173 0.496726 B\n0.336387 0.115114 0.168806 B\n0.545796 0.333030 0.834393 B\n0.558933 0.318138 0.164990 B\n0.554642 0.326476 0.500953 B\n0.544935 0.126033 0.835119 B\n0.558475 0.112725 0.164467 B\n0.555283 0.120198 0.499759 B\n0.499569 0.001658 0.597394 B\n0.496023 0.002769 0.933048 B\n0.510844 0.994519 0.265059 B\n0.978983 0.996668 0.331122 O\n",
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{
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},
{
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"created_at": "2022-09-04T14:39:10.373363Z",
"structure_string": "Sc1 Mn2 Ga3 S8\n1.0\n-1.887102 -3.269107 0.000422\n-5.705520 3.294633 0.005008\n0.008703 -0.003451 -12.505630\nSc Mn Ga S\n1 2 3 8\ndirect\n0.000071 0.333871 0.210150 Sc\n0.000003 0.000317 0.501234 Mn\n0.499995 0.499389 0.502441 Mn\n0.500020 0.834263 0.214999 Ga\n0.499967 0.165737 0.786279 Ga\n0.999982 0.667088 0.785949 Ga\n0.000018 0.333922 0.864233 S\n0.500024 0.833239 0.864412 S\n0.499984 0.147827 0.129170 S\n0.999949 0.684197 0.133036 S\n0.000051 0.333985 0.398291 S\n0.500086 0.833399 0.393947 S\n0.499918 0.164893 0.608196 S\n0.999932 0.667873 0.607662 S\n",
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"formula_full": "Sc1 Mn2 Ga3 S8",
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{
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{
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"structure_string": "Ca6 Pb6 I28\n1.0\n4.509781 0.000000 0.000000\n0.000000 17.033868 0.000000\n0.000000 5.843896 23.594585\nCa Pb I\n6 6 28\ndirect\n0.250000 0.943825 0.813057 Ca\n0.750000 0.704442 0.541970 Ca\n0.750000 0.400984 0.866471 Ca\n0.250000 0.599016 0.133529 Ca\n0.250000 0.295558 0.458030 Ca\n0.750000 0.056175 0.186943 Ca\n0.750000 0.756571 0.978456 Pb\n0.250000 0.874474 0.364115 Pb\n0.250000 0.534157 0.707301 Pb\n0.750000 0.465843 0.292699 Pb\n0.750000 0.125526 0.635885 Pb\n0.250000 0.243429 0.021544 Pb\n0.250000 0.892084 0.963761 I\n0.750000 0.945772 0.708552 I\n0.750000 0.795539 0.842395 I\n0.750000 0.904345 0.449636 I\n0.250000 0.811804 0.577480 I\n0.250000 0.952766 0.148431 I\n0.750000 0.844670 0.279488 I\n0.750000 0.670428 0.687707 I\n0.250000 0.534979 0.841465 I\n0.250000 0.696223 0.439772 I\n0.750000 0.732237 0.115339 I\n0.250000 0.554188 0.574202 I\n0.750000 0.389507 0.997870 I\n0.250000 0.608148 0.262951 I\n0.750000 0.391852 0.737049 I\n0.250000 0.610493 0.002130 I\n0.750000 0.445812 0.425798 I\n0.250000 0.267763 0.884661 I\n0.750000 0.303777 0.560228 I\n0.750000 0.465021 0.158535 I\n0.250000 0.329572 0.312293 I\n0.250000 0.155330 0.720512 I\n0.750000 0.047234 0.851569 I\n0.750000 0.188196 0.422520 I\n0.250000 0.095655 0.550364 I\n0.250000 0.204461 0.157605 I\n0.250000 0.054228 0.291448 I\n0.750000 0.107916 0.036239 I\n",
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]
}