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{
"id": "mp-1203137",
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"structure_string": "Sn4 As4 H48 C16 S4 O6\n1.0\n7.514546 0.000000 0.000000\n1.126081 12.356215 0.000000\n3.580584 4.164416 12.235981\nSn As H C S O\n4 4 48 16 4 6\ndirect\n0.279860 0.518409 0.244193 Sn\n0.720140 0.481591 0.755807 Sn\n0.549232 0.364153 0.077969 Sn\n0.450768 0.635847 0.922031 Sn\n0.466950 0.185995 0.354150 As\n0.533050 0.814005 0.645850 As\n0.059294 0.768286 0.238330 As\n0.940706 0.231714 0.761670 As\n0.046519 0.355292 0.263585 H\n0.953481 0.644708 0.736415 H\n0.971829 0.406273 0.379641 H\n0.028171 0.593727 0.620359 H\n0.926312 0.489990 0.251330 H\n0.073688 0.510010 0.748670 H\n0.459076 0.632550 0.326573 H\n0.540924 0.367450 0.673427 H\n0.381110 0.497841 0.426843 H\n0.618890 0.502159 0.573157 H\n0.586248 0.503724 0.318832 H\n0.413752 0.496276 0.681168 H\n0.235705 0.269075 0.082168 H\n0.764295 0.730925 0.917832 H\n0.423137 0.245811 0.975175 H\n0.576863 0.754189 0.024825 H\n0.407293 0.160937 0.115410 H\n0.592707 0.839063 0.884590 H\n0.871251 0.414148 0.106603 H\n0.128749 0.585852 0.893397 H\n0.871044 0.268634 0.108062 H\n0.128956 0.731366 0.891938 H\n0.912107 0.383923 0.979744 H\n0.087893 0.616077 0.020256 H\n0.163278 0.116475 0.352782 H\n0.836722 0.883525 0.647218 H\n0.234452 0.036520 0.475255 H\n0.765548 0.963480 0.524745 H\n0.133020 0.175543 0.463414 H\n0.866980 0.824457 0.536586 H\n0.436004 0.274128 0.503075 H\n0.563996 0.725872 0.496925 H\n0.542518 0.135733 0.533215 H\n0.457482 0.864267 0.466785 H\n0.677138 0.257765 0.436410 H\n0.322862 0.742235 0.563590 H\n0.239511 0.949720 0.122389 H\n0.760489 0.050280 0.877611 H\n0.091408 0.962269 0.248104 H\n0.908592 0.037731 0.751896 H\n0.306935 0.885974 0.249076 H\n0.693065 0.114026 0.750924 H\n0.794765 0.742950 0.165647 H\n0.205235 0.257050 0.834353 H\n0.771120 0.872542 0.200869 H\n0.228880 0.127458 0.799131 H\n0.929010 0.867225 0.074845 H\n0.070990 0.132775 0.925155 H\n0.023318 0.430659 0.290552 C\n0.976682 0.569341 0.709448 C\n0.449552 0.540828 0.340883 C\n0.550448 0.459172 0.659117 C\n0.381360 0.245052 0.060084 C\n0.618640 0.754948 0.939916 C\n0.838901 0.357579 0.066337 C\n0.161099 0.642421 0.933663 C\n0.219131 0.121938 0.418358 C\n0.780869 0.878062 0.581642 C\n0.540100 0.218729 0.469670 C\n0.459900 0.781271 0.530330 C\n0.191208 0.907542 0.210783 C\n0.808792 0.092458 0.789217 C\n0.866253 0.818384 0.160254 C\n0.133747 0.181616 0.839746 C\n0.653661 0.075582 0.287302 S\n0.346339 0.924418 0.712698 S\n0.959434 0.676410 0.404600 S\n0.040566 0.323590 0.595400 S\n0.442686 0.320862 0.256927 O\n0.557314 0.679138 0.743073 O\n0.213929 0.689000 0.165664 O\n0.786071 0.311000 0.834336 O\n0.423130 0.514850 0.092580 O\n0.576870 0.485150 0.907420 O\n",
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"formula_full": "Sn4 As4 H48 C16 S4 O6",
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},
{
"id": "mp-721699",
"created_at": "2022-09-04T14:46:36.745248Z",
"structure_string": "Ca2 H32 C8 N20 O20\n1.0\n12.798168 0.000000 0.000000\n0.000000 7.747570 0.000000\n0.000000 3.718997 8.546835\nCa H C N O\n2 32 8 20 20\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.000000 Ca\n0.806267 0.317416 0.174051 H\n0.306267 0.182584 0.825949 H\n0.193733 0.682584 0.825949 H\n0.693733 0.817416 0.174051 H\n0.748245 0.531180 0.046893 H\n0.248245 0.968820 0.953107 H\n0.251755 0.468820 0.953107 H\n0.751755 0.031180 0.046893 H\n0.970459 0.321626 0.278259 H\n0.470459 0.178374 0.721741 H\n0.029541 0.678374 0.721741 H\n0.529541 0.821626 0.278259 H\n0.035601 0.536614 0.231241 H\n0.535601 0.963386 0.768759 H\n0.964399 0.463386 0.768759 H\n0.464399 0.036614 0.231241 H\n0.328791 0.598053 0.355634 H\n0.828791 0.901947 0.644366 H\n0.671209 0.401947 0.644366 H\n0.171209 0.098053 0.355634 H\n0.327173 0.710300 0.148273 H\n0.827173 0.789700 0.851727 H\n0.672827 0.289700 0.851727 H\n0.172827 0.210300 0.148273 H\n0.181052 0.599893 0.497082 H\n0.681052 0.900107 0.502918 H\n0.818948 0.400107 0.502918 H\n0.318948 0.099893 0.497082 H\n0.066873 0.716197 0.399641 H\n0.566873 0.783803 0.600359 H\n0.933127 0.283803 0.600359 H\n0.433127 0.216197 0.399641 H\n0.892244 0.558793 0.129419 C\n0.392244 0.941207 0.870581 C\n0.107756 0.441207 0.870581 C\n0.607756 0.058793 0.129419 C\n0.190928 0.727502 0.256356 C\n0.690928 0.772498 0.743644 C\n0.809072 0.272498 0.743644 C\n0.309072 0.227502 0.256356 C\n0.808701 0.459867 0.116887 N\n0.308701 0.040133 0.883113 N\n0.191299 0.540133 0.883113 N\n0.691299 0.959867 0.116887 N\n0.972147 0.463894 0.221740 N\n0.472147 0.036106 0.778260 N\n0.027853 0.536106 0.778260 N\n0.527853 0.963894 0.221740 N\n0.290957 0.675139 0.253852 N\n0.790957 0.824861 0.746148 N\n0.709043 0.324861 0.746148 N\n0.209043 0.175139 0.253852 N\n0.142353 0.675594 0.396139 N\n0.642353 0.824406 0.603861 N\n0.857647 0.324406 0.603861 N\n0.357647 0.175594 0.396139 N\n0.902710 0.965740 0.350915 N\n0.402710 0.534260 0.649085 N\n0.097290 0.034260 0.649085 N\n0.597290 0.465740 0.350915 N\n0.951998 0.057730 0.222725 O\n0.451998 0.442270 0.777275 O\n0.048002 0.942270 0.777275 O\n0.548002 0.557730 0.222725 O\n0.838930 0.056432 0.399158 O\n0.338930 0.443568 0.600842 O\n0.161070 0.943568 0.600842 O\n0.661070 0.556432 0.399158 O\n0.919348 0.793679 0.426191 O\n0.419348 0.706321 0.573809 O\n0.080652 0.206321 0.573809 O\n0.580652 0.293679 0.426191 O\n0.894507 0.737085 0.056255 O\n0.394507 0.762915 0.943745 O\n0.105493 0.262915 0.943745 O\n0.605493 0.237085 0.056255 O\n0.142317 0.820902 0.129289 O\n0.642317 0.679098 0.870711 O\n0.857683 0.179098 0.870711 O\n0.357683 0.320902 0.129289 O\n",
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"elements": [
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],
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"formula_full": "Ca2 H32 C8 N20 O20",
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},
{
"id": "mp-761050",
"created_at": "2022-09-04T14:46:59.683238Z",
"structure_string": "Na14 Cr8 P12 O48\n1.0\n8.836508 0.000000 0.000000\n0.000000 9.029307 0.000000\n0.000000 0.036083 12.881961\nNa Cr P O\n14 8 12 48\ndirect\n0.183228 0.473295 0.814028 Na\n0.183228 0.526705 0.185972 Na\n0.263416 0.947866 0.667456 Na\n0.263416 0.052134 0.332544 Na\n0.442411 0.235964 0.822709 Na\n0.442411 0.764036 0.177291 Na\n0.572579 0.770143 0.814496 Na\n0.572579 0.229857 0.185504 Na\n0.695293 0.464355 0.670583 Na\n0.695293 0.535645 0.329417 Na\n0.818968 0.966688 0.832661 Na\n0.818968 0.033312 0.167339 Na\n0.930233 0.751622 0.319894 Na\n0.930233 0.248378 0.680106 Na\n0.244863 0.215033 0.100420 Cr\n0.244863 0.784967 0.899580 Cr\n0.255791 0.287655 0.596846 Cr\n0.255791 0.712345 0.403154 Cr\n0.755417 0.789886 0.602449 Cr\n0.755417 0.210114 0.397551 Cr\n0.760080 0.301239 0.905869 Cr\n0.760080 0.698761 0.094131 Cr\n0.028374 0.000000 0.500000 P\n0.118493 0.144611 0.855092 P\n0.118493 0.855389 0.144908 P\n0.389108 0.638972 0.646505 P\n0.389108 0.361028 0.353495 P\n0.457456 0.500000 0.000000 P\n0.530124 0.000000 0.000000 P\n0.607714 0.130883 0.639647 P\n0.607714 0.869117 0.360353 P\n0.888281 0.649813 0.839077 P\n0.888281 0.350187 0.160923 P\n0.969970 0.500000 0.500000 P\n0.067492 0.410292 0.578999 O\n0.067492 0.589708 0.421001 O\n0.060102 0.676647 0.852134 O\n0.060102 0.323353 0.147866 O\n0.129908 0.893870 0.435081 O\n0.129908 0.106130 0.564919 O\n0.196844 0.211396 0.950868 O\n0.196844 0.788604 0.049132 O\n0.149382 0.976756 0.840747 O\n0.149382 0.023244 0.159253 O\n0.184870 0.232208 0.759325 O\n0.184870 0.767792 0.240675 O\n0.330527 0.730286 0.740986 O\n0.330527 0.269714 0.259014 O\n0.359266 0.530872 0.336343 O\n0.359266 0.469128 0.663657 O\n0.309618 0.699329 0.549062 O\n0.309618 0.300671 0.450938 O\n0.353154 0.593158 0.926911 O\n0.353154 0.406842 0.073089 O\n0.431478 0.149110 0.636126 O\n0.431478 0.850890 0.363874 O\n0.431465 0.897779 0.929463 O\n0.431465 0.102221 0.070537 O\n0.554399 0.595449 0.073343 O\n0.554399 0.404551 0.926657 O\n0.562962 0.662315 0.640537 O\n0.562962 0.337685 0.359463 O\n0.627699 0.089482 0.923127 O\n0.627699 0.910518 0.076873 O\n0.686831 0.184640 0.540495 O\n0.686831 0.815360 0.459505 O\n0.641496 0.965480 0.665962 O\n0.641496 0.034520 0.334038 O\n0.671317 0.230133 0.727694 O\n0.671317 0.769867 0.272306 O\n0.822914 0.745605 0.747799 O\n0.822914 0.254395 0.252201 O\n0.863827 0.482371 0.816772 O\n0.863827 0.517629 0.183228 O\n0.798557 0.709030 0.932210 O\n0.798557 0.290970 0.067790 O\n0.864675 0.600810 0.564454 O\n0.864675 0.399190 0.435546 O\n0.946224 0.828007 0.142935 O\n0.946224 0.171993 0.857065 O\n0.935754 0.916341 0.582696 O\n0.935754 0.083659 0.417304 O\n",
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},
{
"id": "mp-1229054",
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"structure_string": "Al53 Fe17 Si12\n1.0\n8.782992 0.000000 0.000000\n-2.891105 8.301763 0.000000\n-2.991123 -4.107884 16.077544\nAl Fe Si\n53 17 12\ndirect\n0.421886 0.385826 0.808108 Al\n0.921884 0.386223 0.306625 Al\n0.078116 0.613777 0.693375 Al\n0.578114 0.614174 0.191892 Al\n0.802223 0.704682 0.896070 Al\n0.287355 0.687705 0.388342 Al\n0.249562 0.209744 0.953134 Al\n0.758974 0.220678 0.449642 Al\n0.435545 0.101044 0.657096 Al\n0.939267 0.093465 0.146643 Al\n0.712645 0.312295 0.611658 Al\n0.197777 0.295318 0.103930 Al\n0.241026 0.779322 0.550358 Al\n0.750438 0.790256 0.046866 Al\n0.060733 0.906535 0.853357 Al\n0.564455 0.898956 0.342904 Al\n0.198057 0.460319 0.877944 Al\n0.696473 0.460306 0.374621 Al\n0.199554 0.249587 0.662437 Al\n0.701972 0.247869 0.159751 Al\n0.524300 0.679851 0.772361 Al\n0.021122 0.676889 0.266787 Al\n0.303527 0.539694 0.625379 Al\n0.801943 0.539681 0.122056 Al\n0.298028 0.752131 0.840249 Al\n0.800446 0.750413 0.337563 Al\n0.978878 0.323111 0.733213 Al\n0.475700 0.320149 0.227639 Al\n0.827379 0.062753 0.582527 Al\n0.308944 0.056677 0.074248 Al\n0.563268 0.839282 0.625109 Al\n0.058275 0.847357 0.115800 Al\n0.121568 0.764229 0.971179 Al\n0.631590 0.756138 0.469200 Al\n0.691056 0.943323 0.925752 Al\n0.172621 0.937247 0.417473 Al\n0.941725 0.152643 0.884200 Al\n0.436732 0.160718 0.374891 Al\n0.368410 0.243862 0.530800 Al\n0.878432 0.235771 0.028821 Al\n0.500000 0.000000 0.500000 Al\n0.709603 0.359003 0.781071 Al\n0.208016 0.351908 0.277155 Al\n0.609296 0.442596 0.964599 Al\n0.110315 0.441112 0.465084 Al\n0.379569 0.070105 0.824170 Al\n0.882168 0.071553 0.320030 Al\n0.791984 0.648092 0.722845 Al\n0.290397 0.640997 0.218929 Al\n0.889685 0.558888 0.534916 Al\n0.390704 0.557404 0.035401 Al\n0.117832 0.928447 0.679970 Al\n0.620431 0.929895 0.175830 Al\n0.688954 0.207446 0.896288 Fe\n0.190304 0.206514 0.397327 Fe\n0.809696 0.793486 0.602673 Fe\n0.311046 0.792554 0.103712 Fe\n0.992909 0.594193 0.829020 Fe\n0.492615 0.595556 0.329993 Fe\n0.987465 0.341002 0.580727 Fe\n0.486984 0.341430 0.081572 Fe\n0.360521 0.837147 0.702717 Fe\n0.862493 0.836953 0.203494 Fe\n0.507385 0.404444 0.670007 Fe\n0.007091 0.405807 0.170980 Fe\n0.513016 0.658570 0.918428 Fe\n0.012535 0.658998 0.419273 Fe\n0.137507 0.163047 0.796506 Fe\n0.639479 0.162853 0.297283 Fe\n0.000000 0.000000 0.000000 Fe\n0.909207 0.453218 0.928989 Si\n0.407096 0.454852 0.429101 Si\n0.538899 0.144145 0.990696 Si\n0.034245 0.140576 0.489090 Si\n0.630600 0.018986 0.775621 Si\n0.132103 0.022240 0.270878 Si\n0.592904 0.545148 0.570899 Si\n0.090793 0.546782 0.071011 Si\n0.965755 0.859424 0.510910 Si\n0.461101 0.855855 0.009304 Si\n0.867897 0.977760 0.729122 Si\n0.369400 0.981014 0.224379 Si\n",
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"volume": 1172.283156114483,
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"formula_full": "Al53 Fe17 Si12",
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},
{
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