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{
"id": "mp-755954",
"created_at": "2022-09-04T14:45:33.095425Z",
"structure_string": "Ba2 Sr4 I12\n1.0\n8.393095 0.000000 0.000000\n0.000000 7.713927 0.000000\n0.000000 6.628637 13.778021\nBa Sr I\n2 4 12\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.000000 0.500000 Ba\n0.601327 0.669827 0.256078 Sr\n0.101327 0.330173 0.243922 Sr\n0.898673 0.669827 0.756078 Sr\n0.398673 0.330173 0.743922 Sr\n0.324876 0.697903 0.094778 I\n0.807253 0.568221 0.093738 I\n0.425815 0.058355 0.264174 I\n0.925815 0.941645 0.235826 I\n0.307253 0.431779 0.406262 I\n0.824876 0.302097 0.405222 I\n0.175124 0.697903 0.594778 I\n0.692747 0.568221 0.593738 I\n0.074185 0.058355 0.764174 I\n0.574185 0.941645 0.735826 I\n0.192747 0.431779 0.906262 I\n0.675124 0.302097 0.905222 I\n",
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{
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"formula_full": "Mg1 Fe10 O16 F4",
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"spacegroup": 1
},
{
"id": "mp-1226300",
"created_at": "2022-09-04T14:45:33.350921Z",
"structure_string": "Cr4 Fe1 Co1 S8\n1.0\n0.000000 4.912756 4.912756\n4.912756 0.000000 4.912756\n4.912756 4.912756 0.000000\nCr Fe Co S\n4 1 1 8\ndirect\n0.628849 0.123717 0.123717 Cr\n0.123717 0.628849 0.123717 Cr\n0.123717 0.123717 0.628849 Cr\n0.123717 0.123717 0.123717 Cr\n0.500000 0.500000 0.500000 Fe\n0.750000 0.750000 0.750000 Co\n0.362639 0.879120 0.879120 S\n0.879120 0.362639 0.879120 S\n0.879120 0.879120 0.362639 S\n0.879120 0.879120 0.879120 S\n0.895644 0.368119 0.368119 S\n0.368119 0.895644 0.368119 S\n0.368119 0.368119 0.895644 S\n0.368119 0.368119 0.368119 S\n",
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"formula_full": "Cr4 Fe1 Co1 S8",
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{
"id": "mp-504491",
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"structure_string": "Dy6 Fe16 O1\n1.0\n-4.718928 4.718928 4.718928\n4.718928 -4.718928 4.718928\n4.718928 4.718928 -4.718928\nDy Fe O\n6 16 1\ndirect\n0.262865 0.000000 0.262865 Dy\n0.000000 0.262865 0.262865 Dy\n0.000000 0.737135 0.737135 Dy\n0.262865 0.262865 0.000000 Dy\n0.737135 0.737135 0.000000 Dy\n0.737135 0.000000 0.737135 Dy\n0.000000 0.000000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.337161 0.000000 0.662839 Fe\n0.674322 0.337161 0.337161 Fe\n0.000000 0.337161 0.662839 Fe\n0.662839 0.662839 0.325678 Fe\n0.337161 0.662839 0.000000 Fe\n0.337161 0.674322 0.337161 Fe\n0.662839 0.325678 0.662839 Fe\n0.337161 0.337161 0.674322 Fe\n0.325678 0.662839 0.662839 Fe\n0.662839 0.337161 0.000000 Fe\n0.000000 0.662839 0.337161 Fe\n0.662839 0.000000 0.337161 Fe\n0.000000 0.000000 0.000000 O\n",
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"spacegroup": 229
},
{
"id": "mp-685044",
"created_at": "2022-09-04T14:45:33.462800Z",
"structure_string": "Yb16 S29\n1.0\n11.131391 0.000000 0.000000\n-0.029194 11.146550 0.000000\n-5.526886 -4.884812 8.976490\nYb S\n16 29\ndirect\n0.704348 0.946806 0.652188 Yb\n0.786588 0.791410 0.315627 Yb\n0.955660 0.697771 0.656920 Yb\n0.214942 0.952689 0.672827 Yb\n0.043256 0.550673 0.340933 Yb\n0.292130 0.798844 0.331662 Yb\n0.206994 0.447213 0.662119 Yb\n0.449688 0.692602 0.646872 Yb\n0.299844 0.303800 0.349021 Yb\n0.544420 0.552241 0.338456 Yb\n0.457159 0.196236 0.662267 Yb\n0.703187 0.446112 0.651913 Yb\n0.547337 0.052165 0.340766 Yb\n0.801583 0.305009 0.348609 Yb\n0.961989 0.201123 0.670571 Yb\n0.056162 0.057229 0.355158 Yb\n0.077226 0.057510 0.014540 S\n0.196756 0.968262 0.939540 S\n0.525941 0.922846 0.954132 S\n0.549468 0.805687 0.342558 S\n0.531549 0.824351 0.067044 S\n0.731561 0.027706 0.039549 S\n0.434721 0.528101 0.981887 S\n0.941834 0.933484 0.626580 S\n0.796253 0.553655 0.342579 S\n0.793878 0.527356 0.048000 S\n0.056325 0.810904 0.359838 S\n0.002332 0.740244 0.050241 S\n0.700871 0.206075 0.012084 S\n0.202759 0.694772 0.653378 S\n0.934991 0.548656 0.993717 S\n0.447729 0.935076 0.636494 S\n0.051790 0.304520 0.350291 S\n0.994067 0.189422 0.945657 S\n0.289774 0.547248 0.332725 S\n0.292232 0.494928 0.023062 S\n0.457105 0.447495 0.659798 S\n0.703968 0.697822 0.654201 S\n0.300780 0.055135 0.348616 S\n0.546207 0.302459 0.339924 S\n0.509155 0.226936 0.955903 S\n0.705437 0.196477 0.655683 S\n0.956167 0.447720 0.658923 S\n0.809080 0.060829 0.359535 S\n0.206072 0.195039 0.661009 S\n",
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{
"id": "mp-1207702",
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"structure_string": "Tm4 Sb4 Rh4\n1.0\n4.551293 0.000000 0.000000\n0.000000 7.094912 0.000000\n0.000000 0.000000 7.809655\nTm Sb Rh\n4 4 4\ndirect\n0.250000 0.509455 0.198375 Tm\n0.750000 0.490545 0.801625 Tm\n0.750000 0.990545 0.698375 Tm\n0.250000 0.009455 0.301625 Tm\n0.250000 0.689417 0.591833 Sb\n0.750000 0.310583 0.408167 Sb\n0.750000 0.810583 0.091833 Sb\n0.250000 0.189417 0.908167 Sb\n0.250000 0.797891 0.918162 Rh\n0.750000 0.202109 0.081838 Rh\n0.750000 0.702109 0.418162 Rh\n0.250000 0.297891 0.581838 Rh\n",
"nsites": 12,
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],
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{
"id": "mp-1042632",
"created_at": "2022-09-04T14:45:33.266962Z",
"structure_string": "Mg8 Mn8 Bi8 O40\n1.0\n5.267841 0.000000 0.000000\n0.000000 10.726382 0.000000\n0.000000 0.000000 15.282962\nMg Mn Bi O\n8 8 8 40\ndirect\n0.493709 0.357258 0.547790 Mg\n0.993709 0.142742 0.547790 Mg\n0.993709 0.642742 0.952210 Mg\n0.006291 0.357258 0.047790 Mg\n0.506291 0.142742 0.047790 Mg\n0.006291 0.857258 0.452210 Mg\n0.506291 0.642742 0.452210 Mg\n0.493709 0.857258 0.952210 Mg\n0.978363 0.399545 0.407576 Mn\n0.521637 0.899545 0.592424 Mn\n0.021637 0.600455 0.592424 Mn\n0.478363 0.100455 0.407576 Mn\n0.021637 0.100455 0.907576 Mn\n0.978363 0.899545 0.092424 Mn\n0.521637 0.399545 0.907576 Mn\n0.478363 0.600455 0.092424 Mn\n0.971518 0.855577 0.772252 Bi\n0.028482 0.144423 0.227748 Bi\n0.528482 0.355577 0.227748 Bi\n0.028482 0.644423 0.272252 Bi\n0.471518 0.144423 0.727748 Bi\n0.471518 0.644423 0.772252 Bi\n0.528482 0.855577 0.272252 Bi\n0.971518 0.355577 0.727748 Bi\n0.939075 0.335330 0.303150 O\n0.309435 0.043228 0.941180 O\n0.190565 0.543228 0.058820 O\n0.267375 0.772710 0.854920 O\n0.232625 0.272710 0.145080 O\n0.939075 0.835330 0.196850 O\n0.232625 0.772710 0.354920 O\n0.560925 0.835330 0.696850 O\n0.309435 0.543228 0.558820 O\n0.060925 0.664670 0.696850 O\n0.560925 0.335330 0.803150 O\n0.639768 0.193124 0.478854 O\n0.809435 0.956772 0.558820 O\n0.732625 0.727290 0.354920 O\n0.183921 0.023352 0.118268 O\n0.809435 0.456772 0.941180 O\n0.060925 0.164670 0.803150 O\n0.767375 0.227290 0.645080 O\n0.139768 0.806876 0.021146 O\n0.190565 0.043228 0.441180 O\n0.360232 0.806876 0.521146 O\n0.816079 0.976648 0.881732 O\n0.732625 0.227290 0.145080 O\n0.683921 0.976648 0.381732 O\n0.360232 0.306876 0.978854 O\n0.139768 0.306876 0.478854 O\n0.690565 0.456772 0.441180 O\n0.690565 0.956772 0.058820 O\n0.683921 0.476648 0.118268 O\n0.860232 0.693124 0.521146 O\n0.860232 0.193124 0.978854 O\n0.639768 0.693124 0.021146 O\n0.816079 0.476648 0.618268 O\n0.767375 0.727290 0.854920 O\n0.267375 0.272710 0.645080 O\n0.183921 0.523352 0.381732 O\n0.316079 0.523352 0.881732 O\n0.439075 0.164670 0.303150 O\n0.316079 0.023352 0.618268 O\n0.439075 0.664670 0.196850 O\n",
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{
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"structure_string": "Mg14 Ti1 Sn1\n1.0\n6.314215 0.000000 -0.000000\n-3.157107 5.468270 -0.000000\n-0.000000 0.000000 10.387815\nMg Ti Sn\n14 1 1\ndirect\n0.165339 0.832669 0.125000 Mg\n0.168600 0.834300 0.625000 Mg\n0.667331 0.334661 0.125000 Mg\n0.665700 0.331400 0.625000 Mg\n0.667331 0.832669 0.125000 Mg\n0.665700 0.834300 0.625000 Mg\n0.331113 0.168887 0.378654 Mg\n0.331113 0.168887 0.871346 Mg\n0.331113 0.662228 0.378654 Mg\n0.331113 0.662228 0.871346 Mg\n0.837772 0.168887 0.378654 Mg\n0.837772 0.168887 0.871346 Mg\n0.833333 0.666667 0.377365 Mg\n0.833333 0.666667 0.872635 Mg\n0.166667 0.333333 0.625000 Ti\n0.166667 0.333333 0.125000 Sn\n",
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{
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"structure_string": "Ba1 Tl3 Au1\n1.0\n5.062475 0.000000 0.000000\n0.000000 5.062475 0.000000\n2.531237 2.531237 6.256452\nBa Tl Au\n1 3 1\ndirect\n0.004597 0.004597 0.990806 Ba\n0.741679 0.241679 0.516643 Tl\n0.241679 0.741679 0.516643 Tl\n0.394032 0.394032 0.211936 Tl\n0.618013 0.618013 0.763974 Au\n",
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{
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{
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{
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"structure_string": "Na5 Li3 Ti5 O14\n1.0\n5.228107 0.000000 0.000000\n-0.933553 -6.975315 0.000000\n-1.668424 0.003949 -8.021162\nNa Li Ti O\n5 3 5 14\ndirect\n0.649250 0.293278 0.799548 Na\n0.071897 0.136345 0.639919 Na\n0.510244 0.002369 0.494190 Na\n0.904603 0.856805 0.358156 Na\n0.356927 0.729540 0.220694 Na\n0.225947 0.436316 0.938402 Li\n0.860575 0.704821 0.714436 Li\n0.778282 0.570296 0.066178 Li\n0.005838 0.991785 0.997584 Ti\n0.438305 0.859596 0.869862 Ti\n0.288188 0.576307 0.589749 Ti\n0.705538 0.425301 0.415546 Ti\n0.132279 0.283802 0.265402 Ti\n0.117403 0.746586 0.958867 O\n0.299853 0.092932 0.895868 O\n0.494219 0.581388 0.811858 O\n0.743015 0.984285 0.784555 O\n0.209752 0.824458 0.625413 O\n0.973887 0.448406 0.649718 O\n0.399675 0.312967 0.511781 O\n0.595408 0.675714 0.484093 O\n0.025220 0.545854 0.334280 O\n0.842346 0.188977 0.382217 O\n0.197353 0.028615 0.230700 O\n0.463636 0.425855 0.206265 O\n0.688202 0.845136 0.071040 O\n0.954060 0.281674 0.043955 O\n",
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}