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{
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{
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"structure_string": "Lu3 Hg1\n1.0\n4.714644 0.000000 0.000000\n0.000000 4.714644 0.000000\n0.000000 0.000000 4.714644\nLu Hg\n3 1\ndirect\n0.000000 0.500000 0.500000 Lu\n0.500000 0.000000 0.500000 Lu\n0.500000 0.500000 0.000000 Lu\n0.000000 0.000000 0.000000 Hg\n",
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{
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"structure_string": "H28 C8 S8 N16 Cl4 O12\n1.0\n5.358927 0.000000 0.000000\n0.000000 10.159083 0.000000\n0.000000 0.000000 17.224718\nH C S N Cl O\n28 8 8 16 4 12\ndirect\n0.285916 0.028550 0.701905 H\n0.214084 0.971450 0.201905 H\n0.714084 0.528550 0.798095 H\n0.785916 0.471450 0.298095 H\n0.457342 0.167207 0.736343 H\n0.042658 0.832793 0.236343 H\n0.542658 0.667207 0.763657 H\n0.957342 0.332793 0.263657 H\n0.902255 0.085013 0.616029 H\n0.597745 0.914987 0.116029 H\n0.097745 0.585013 0.883971 H\n0.402255 0.414987 0.383971 H\n0.196661 0.688662 0.590617 H\n0.303339 0.311338 0.090617 H\n0.803339 0.188662 0.909383 H\n0.696661 0.811338 0.409383 H\n0.230070 0.623021 0.494867 H\n0.269930 0.376979 0.994867 H\n0.769930 0.123021 0.005133 H\n0.730070 0.876979 0.505133 H\n0.139689 0.599085 0.355482 H\n0.360311 0.400915 0.855482 H\n0.860311 0.099085 0.144518 H\n0.639689 0.900915 0.644518 H\n0.431855 0.622664 0.354623 H\n0.068145 0.377336 0.854623 H\n0.568145 0.122664 0.145377 H\n0.931855 0.877336 0.645377 H\n0.189224 0.210813 0.658415 C\n0.310776 0.789187 0.158415 C\n0.810776 0.710813 0.841585 C\n0.689224 0.289187 0.341585 C\n0.992303 0.388452 0.588909 C\n0.507697 0.611548 0.088909 C\n0.007697 0.888452 0.911091 C\n0.492303 0.111548 0.411091 C\n0.255505 0.376900 0.648071 S\n0.244495 0.623100 0.148071 S\n0.744495 0.876900 0.851929 S\n0.755505 0.123100 0.351929 S\n0.883723 0.545635 0.553912 S\n0.616277 0.454365 0.053912 S\n0.116277 0.045635 0.946088 S\n0.383723 0.954365 0.446088 S\n0.322042 0.128931 0.700651 N\n0.177958 0.871069 0.200651 N\n0.677958 0.628931 0.799349 N\n0.822042 0.371069 0.299349 N\n0.985112 0.179484 0.616077 N\n0.514888 0.820516 0.116077 N\n0.014888 0.679484 0.883923 N\n0.485112 0.320516 0.383923 N\n0.873306 0.279213 0.577012 N\n0.626694 0.720787 0.077012 N\n0.126694 0.779213 0.922988 N\n0.373306 0.220787 0.422988 N\n0.125839 0.636329 0.544221 N\n0.374161 0.363671 0.044221 N\n0.874161 0.136329 0.955779 N\n0.625839 0.863671 0.455779 N\n0.793846 0.684012 0.299102 Cl\n0.706154 0.315988 0.799102 Cl\n0.206154 0.184012 0.200898 Cl\n0.293846 0.815988 0.700898 Cl\n0.733772 0.599596 0.615822 O\n0.766228 0.400404 0.115822 O\n0.266228 0.099596 0.884178 O\n0.233772 0.900404 0.384178 O\n0.778977 0.518636 0.478806 O\n0.721023 0.481364 0.978806 O\n0.221023 0.018636 0.021194 O\n0.278977 0.981364 0.521194 O\n0.298838 0.568718 0.378480 O\n0.201162 0.431282 0.878480 O\n0.701162 0.068718 0.121520 O\n0.798838 0.931282 0.621520 O\n",
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"formula_full": "H28 C8 S8 N16 Cl4 O12",
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{
"id": "mp-7123",
"created_at": "2022-09-04T14:43:13.370036Z",
"structure_string": "K2 Sb2 P4 Se12\n1.0\n8.208081 0.000000 0.000000\n0.000000 7.042950 0.000000\n0.000000 0.301334 10.350914\nK Sb P Se\n2 2 4 12\ndirect\n0.662963 0.192771 0.991713 K\n0.162963 0.807229 0.008287 K\n0.947148 0.313554 0.514373 Sb\n0.447148 0.686446 0.485627 Sb\n0.152380 0.291692 0.798274 P\n0.652380 0.708308 0.201726 P\n0.860875 0.807296 0.329536 P\n0.360875 0.192704 0.670464 P\n0.055370 0.584911 0.328476 Se\n0.959419 0.081406 0.766294 Se\n0.555370 0.415089 0.671524 Se\n0.240576 0.323602 0.991540 Se\n0.577467 0.443673 0.312163 Se\n0.077467 0.556327 0.687837 Se\n0.742405 0.840559 0.526202 Se\n0.242405 0.159441 0.473798 Se\n0.453198 0.922125 0.749606 Se\n0.953198 0.077875 0.250394 Se\n0.740576 0.676398 0.008460 Se\n0.459419 0.918594 0.233706 Se\n",
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{
"id": "mp-1218808",
"created_at": "2022-09-04T14:43:13.374728Z",
"structure_string": "Sr2 La1 Fe3 O9\n1.0\n2.770684 -4.798965 0.000000\n2.770684 4.798965 0.000000\n0.000000 0.000000 6.769848\nSr La Fe O\n2 1 3 9\ndirect\n0.333333 0.666667 0.835003 Sr\n0.666667 0.333333 0.164997 Sr\n0.000000 0.000000 0.500000 La\n0.000000 0.000000 0.000000 Fe\n0.333333 0.666667 0.331568 Fe\n0.666667 0.333333 0.668432 Fe\n0.164041 0.328081 0.173019 O\n0.500000 0.000000 0.500000 O\n0.835959 0.671919 0.826981 O\n0.164041 0.835959 0.173019 O\n0.500000 0.500000 0.500000 O\n0.835959 0.164041 0.826981 O\n0.000000 0.500000 0.500000 O\n0.328081 0.164041 0.826981 O\n0.671919 0.835959 0.173019 O\n",
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{
"id": "mp-1177550",
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"structure_string": "Li8 V6 P16 O58\n1.0\n4.870091 8.463832 0.000000\n-4.870091 8.463832 0.000000\n0.000000 0.193070 14.500043\nLi V P O\n8 6 16 58\ndirect\n0.130144 0.641319 0.468988 Li\n0.641319 0.130144 0.968988 Li\n0.093635 0.230094 0.934970 Li\n0.773424 0.905485 0.557208 Li\n0.230094 0.093635 0.434970 Li\n0.905485 0.773424 0.057208 Li\n0.063551 0.977139 0.999267 Li\n0.977139 0.063551 0.499267 Li\n0.563113 0.998365 0.745456 V\n0.434074 0.998314 0.259853 V\n0.998365 0.563113 0.245456 V\n0.998314 0.434074 0.759853 V\n0.440022 0.559866 0.746375 V\n0.559866 0.440022 0.246375 V\n0.217775 0.700267 0.156919 P\n0.087746 0.686066 0.668757 P\n0.700267 0.217775 0.656919 P\n0.344589 0.328415 0.865706 P\n0.328415 0.344589 0.365706 P\n0.686066 0.087746 0.168757 P\n0.779895 0.903728 0.344587 P\n0.087422 0.225955 0.151953 P\n0.903728 0.779895 0.844587 P\n0.225955 0.087422 0.651953 P\n0.303261 0.908790 0.826456 P\n0.676744 0.660806 0.636741 P\n0.660806 0.676744 0.136741 P\n0.299383 0.774864 0.340852 P\n0.908790 0.303261 0.326456 P\n0.774864 0.299383 0.840852 P\n0.203353 0.775997 0.421566 O\n0.258824 0.658747 0.670118 O\n0.975396 0.789159 0.932863 O\n0.075573 0.666921 0.161571 O\n0.376246 0.541649 0.170124 O\n0.334082 0.478285 0.819317 O\n0.541649 0.376246 0.670124 O\n0.775997 0.203353 0.921566 O\n0.658747 0.258824 0.170118 O\n0.188713 0.469654 0.301534 O\n0.094834 0.528223 0.683625 O\n0.478285 0.334082 0.319317 O\n0.409731 0.290367 0.961414 O\n0.290367 0.409731 0.461414 O\n0.469654 0.188713 0.801534 O\n0.066784 0.393190 0.158792 O\n0.182388 0.337317 0.853968 O\n0.666921 0.075573 0.661571 O\n0.798522 0.998031 0.256783 O\n0.789159 0.975396 0.432863 O\n0.771711 0.004509 0.081640 O\n0.528223 0.094834 0.183625 O\n0.337317 0.182388 0.353968 O\n0.731097 0.922878 0.835344 O\n0.393190 0.066784 0.658792 O\n0.102364 0.253768 0.686697 O\n0.998031 0.798522 0.756783 O\n0.004509 0.771711 0.581640 O\n0.005050 0.191395 0.401709 O\n0.922878 0.731097 0.335344 O\n0.622124 0.905159 0.330336 O\n0.253768 0.102364 0.186697 O\n0.677107 0.808234 0.684204 O\n0.454328 0.923859 0.820807 O\n0.191395 0.005050 0.901709 O\n0.188327 0.049679 0.559609 O\n0.218521 0.968707 0.727210 O\n0.333357 0.913375 0.344381 O\n0.808234 0.677107 0.184204 O\n0.905159 0.622124 0.830336 O\n0.512094 0.816482 0.180359 O\n0.685406 0.674906 0.035553 O\n0.674906 0.685406 0.535553 O\n0.524102 0.662260 0.676980 O\n0.923859 0.454328 0.320807 O\n0.816482 0.512094 0.680359 O\n0.349699 0.733414 0.830837 O\n0.197428 0.803022 0.247687 O\n0.202630 0.794456 0.073006 O\n0.457515 0.618294 0.323796 O\n0.662260 0.524102 0.176980 O\n0.618294 0.457515 0.823796 O\n0.913375 0.333357 0.844381 O\n0.049679 0.188327 0.059609 O\n0.968707 0.218521 0.227210 O\n0.733414 0.349699 0.330837 O\n0.794456 0.202630 0.573006 O\n0.803022 0.197428 0.747687 O\n",
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{
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"structure_string": "Mg8 Mo16 O32\n1.0\n3.211873 5.403881 0.000000\n-3.211873 5.403881 0.000000\n0.000000 3.405270 20.706677\nMg Mo O\n8 16 32\ndirect\n0.854308 0.854308 0.967029 Mg\n0.382516 0.382516 0.875661 Mg\n0.594700 0.594700 0.721020 Mg\n0.121426 0.121426 0.626762 Mg\n0.873246 0.873246 0.376967 Mg\n0.994145 0.994145 0.502424 Mg\n0.632096 0.632096 0.123939 Mg\n0.750687 0.750687 0.251869 Mg\n0.379885 0.882429 0.876173 Mo\n0.248427 0.248427 0.748892 Mo\n0.882429 0.379885 0.876173 Mo\n0.357579 0.357579 0.447994 Mo\n0.119442 0.612818 0.623333 Mo\n0.896711 0.896711 0.779800 Mo\n0.110297 0.110297 0.190126 Mo\n0.612818 0.119442 0.623333 Mo\n0.868892 0.363164 0.377884 Mo\n0.640216 0.640216 0.532998 Mo\n0.363164 0.868892 0.377884 Mo\n0.128418 0.632395 0.123562 Mo\n0.632395 0.128418 0.123562 Mo\n0.391417 0.391417 0.311611 Mo\n0.506469 0.506469 0.994396 Mo\n0.152698 0.152698 0.046192 Mo\n0.682743 0.212718 0.934607 O\n0.566225 0.566225 0.819135 O\n0.212718 0.682743 0.934607 O\n0.687388 0.687388 0.935034 O\n0.075653 0.075653 0.818540 O\n0.420319 0.953447 0.686352 O\n0.540119 0.090813 0.813499 O\n0.301102 0.301102 0.569505 O\n0.953447 0.420319 0.686352 O\n0.197382 0.197382 0.932832 O\n0.427401 0.427401 0.683634 O\n0.090813 0.540119 0.813499 O\n0.152026 0.723283 0.441074 O\n0.809167 0.809167 0.564137 O\n0.291411 0.816331 0.565238 O\n0.054716 0.054716 0.324232 O\n0.723283 0.152026 0.441074 O\n0.933903 0.933903 0.676810 O\n0.163241 0.163241 0.440750 O\n0.816331 0.291411 0.565238 O\n0.577189 0.577189 0.311151 O\n0.925610 0.472640 0.184378 O\n0.026190 0.575416 0.316853 O\n0.811712 0.811712 0.066607 O\n0.472640 0.925610 0.184378 O\n0.684986 0.684986 0.436720 O\n0.925895 0.925895 0.186776 O\n0.575416 0.026190 0.316853 O\n0.331121 0.331121 0.060337 O\n0.792995 0.331099 0.059638 O\n0.451321 0.451321 0.170941 O\n0.331099 0.792995 0.059638 O\n",
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{
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