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{
"id": "mp-1185168",
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{
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{
"id": "mp-1333536",
"created_at": "2022-09-04T14:44:41.078766Z",
"structure_string": "Mg12 Ge12 Bi8 O48\n1.0\n-6.397751 6.397751 6.397751\n6.397751 -6.397751 6.397751\n6.397751 6.397751 -6.397751\nMg Ge Bi O\n12 12 8 48\ndirect\n0.250000 0.875000 0.625000 Mg\n0.750000 0.625000 0.875000 Mg\n0.625000 0.875000 0.750000 Mg\n0.875000 0.625000 0.250000 Mg\n0.625000 0.250000 0.875000 Mg\n0.875000 0.750000 0.625000 Mg\n0.750000 0.125000 0.375000 Mg\n0.250000 0.375000 0.125000 Mg\n0.375000 0.125000 0.250000 Mg\n0.125000 0.375000 0.750000 Mg\n0.375000 0.750000 0.125000 Mg\n0.125000 0.250000 0.375000 Mg\n0.125000 0.750000 0.875000 Ge\n0.875000 0.250000 0.125000 Ge\n0.625000 0.375000 0.250000 Ge\n0.750000 0.875000 0.125000 Ge\n0.875000 0.125000 0.750000 Ge\n0.250000 0.625000 0.375000 Ge\n0.750000 0.375000 0.625000 Ge\n0.250000 0.125000 0.875000 Ge\n0.125000 0.875000 0.250000 Ge\n0.375000 0.625000 0.750000 Ge\n0.625000 0.750000 0.375000 Ge\n0.375000 0.250000 0.625000 Ge\n0.500000 0.500000 0.500000 Bi\n0.500000 0.000000 0.500000 Bi\n0.000000 0.500000 0.500000 Bi\n0.500000 0.500000 0.000000 Bi\n0.000000 0.000000 0.500000 Bi\n0.000000 0.500000 0.000000 Bi\n0.500000 0.000000 0.000000 Bi\n0.000000 0.000000 0.000000 Bi\n0.404858 0.801303 0.769349 O\n0.864491 0.396444 0.095142 O\n0.103556 0.968046 0.698697 O\n0.531954 0.635509 0.730651 O\n0.698697 0.095142 0.730651 O\n0.635509 0.730651 0.531954 O\n0.635509 0.404858 0.103556 O\n0.730651 0.531954 0.635509 O\n0.801303 0.531954 0.396444 O\n0.968046 0.769349 0.864491 O\n0.769349 0.864491 0.968046 O\n0.730651 0.698697 0.095142 O\n0.404858 0.103556 0.635509 O\n0.396444 0.801303 0.531954 O\n0.095142 0.730651 0.698697 O\n0.103556 0.635509 0.404858 O\n0.531954 0.396444 0.801303 O\n0.095142 0.864491 0.396444 O\n0.968046 0.698697 0.103556 O\n0.198697 0.468046 0.603556 O\n0.698697 0.103556 0.968046 O\n0.769349 0.404858 0.801303 O\n0.396444 0.095142 0.864491 O\n0.864491 0.968046 0.769349 O\n0.595142 0.198697 0.230651 O\n0.135509 0.603556 0.904858 O\n0.896444 0.031954 0.301303 O\n0.468046 0.364491 0.269349 O\n0.301303 0.904858 0.269349 O\n0.364491 0.269349 0.468046 O\n0.364491 0.595142 0.896444 O\n0.269349 0.468046 0.364491 O\n0.135509 0.031954 0.230651 O\n0.603556 0.904858 0.135509 O\n0.230651 0.595142 0.198697 O\n0.198697 0.230651 0.595142 O\n0.301303 0.896444 0.031954 O\n0.031954 0.301303 0.896444 O\n0.904858 0.135509 0.603556 O\n0.468046 0.603556 0.198697 O\n0.896444 0.364491 0.595142 O\n0.904858 0.269349 0.301303 O\n0.603556 0.198697 0.468046 O\n0.595142 0.896444 0.364491 O\n0.269349 0.301303 0.904858 O\n0.230651 0.135509 0.031954 O\n0.031954 0.230651 0.135509 O\n0.801303 0.769349 0.404858 O\n",
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"formula_full": "Mg12 Ge12 Bi8 O48",
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{
"id": "mp-1196751",
"created_at": "2022-09-04T14:44:31.309155Z",
"structure_string": "Te2 C8 S8 N16 Cl4 O4\n1.0\n14.461002 0.000000 0.000000\n0.000000 7.920500 0.000000\n0.000000 4.343651 11.321424\nTe C S N Cl O\n2 8 8 16 4 4\ndirect\n0.000000 0.000000 0.000000 Te\n0.500000 0.000000 0.500000 Te\n0.211877 0.954797 0.126033 C\n0.711877 0.045203 0.373967 C\n0.788123 0.045203 0.873967 C\n0.288123 0.954797 0.626033 C\n0.057487 0.195888 0.372873 C\n0.557487 0.804112 0.127127 C\n0.942513 0.804112 0.627127 C\n0.442513 0.195888 0.872873 C\n0.171951 0.856321 0.037003 S\n0.671951 0.143679 0.462997 S\n0.828049 0.143679 0.962997 S\n0.328049 0.856321 0.537003 S\n0.990547 0.715258 0.196450 S\n0.490547 0.284742 0.303550 S\n0.009453 0.284742 0.803550 S\n0.509453 0.715258 0.696450 S\n0.184474 0.303894 0.065829 N\n0.684474 0.696106 0.434171 N\n0.815526 0.696106 0.934171 N\n0.315526 0.303894 0.565829 N\n0.240278 0.029299 0.188420 N\n0.740278 0.970701 0.311580 N\n0.759722 0.970701 0.811580 N\n0.259722 0.029299 0.688420 N\n0.115005 0.104243 0.444394 N\n0.615005 0.895757 0.055606 N\n0.884995 0.895757 0.555606 N\n0.384995 0.104243 0.944394 N\n0.999332 0.286844 0.301029 N\n0.499332 0.713156 0.198971 N\n0.000668 0.713156 0.698971 N\n0.500668 0.286844 0.801029 N\n0.356905 0.348078 0.263385 Cl\n0.856905 0.651922 0.236615 Cl\n0.643095 0.651922 0.736615 Cl\n0.143095 0.348078 0.763385 Cl\n0.259476 0.384564 0.501892 O\n0.759476 0.615436 0.998108 O\n0.740524 0.615436 0.498108 O\n0.240524 0.384564 0.001892 O\n",
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{
"id": "mp-30977",
"created_at": "2022-09-04T14:44:31.314353Z",
"structure_string": "B40 H48 Br8\n1.0\n7.591485 0.000000 0.000000\n0.000000 12.225570 0.000000\n0.000000 4.895109 12.879108\nB H Br\n40 48 8\ndirect\n0.924299 0.313745 0.210399 B\n0.424299 0.186255 0.789601 B\n0.075701 0.686255 0.789601 B\n0.575701 0.813745 0.210399 B\n0.727662 0.347601 0.264861 B\n0.227662 0.152399 0.735139 B\n0.272338 0.652399 0.735139 B\n0.772338 0.847601 0.264861 B\n0.800336 0.394940 0.366268 B\n0.300336 0.105060 0.633732 B\n0.199664 0.605060 0.633732 B\n0.699664 0.894940 0.366268 B\n0.986673 0.512562 0.334535 B\n0.486673 0.987438 0.665465 B\n0.013327 0.487438 0.665465 B\n0.513327 0.012562 0.334535 B\n0.068558 0.565346 0.205215 B\n0.568558 0.934654 0.794785 B\n0.931442 0.434654 0.794785 B\n0.431442 0.065346 0.205215 B\n0.114217 0.437147 0.176220 B\n0.614217 0.062853 0.823780 B\n0.885783 0.562853 0.823780 B\n0.385783 0.937147 0.176220 B\n0.395990 0.813213 0.290676 B\n0.391356 0.231171 0.652886 B\n0.108644 0.731171 0.652886 B\n0.608644 0.768829 0.347114 B\n0.024442 0.361825 0.390218 B\n0.524442 0.138175 0.609782 B\n0.975558 0.638175 0.609782 B\n0.475558 0.861825 0.390218 B\n0.175834 0.449874 0.296720 B\n0.675834 0.050126 0.703280 B\n0.824166 0.550126 0.703280 B\n0.324166 0.949874 0.296720 B\n0.104010 0.313213 0.290676 B\n0.604010 0.186787 0.709324 B\n0.895990 0.686787 0.709324 B\n0.891356 0.268829 0.347114 B\n0.802950 0.396168 0.170269 H\n0.302950 0.103832 0.829731 H\n0.197050 0.603832 0.829731 H\n0.697050 0.896168 0.170269 H\n0.582483 0.320195 0.250291 H\n0.082483 0.179805 0.749709 H\n0.417517 0.679805 0.749709 H\n0.917517 0.820195 0.250291 H\n0.717715 0.451466 0.276988 H\n0.217715 0.048534 0.723012 H\n0.282285 0.548534 0.723012 H\n0.782285 0.951466 0.276988 H\n0.696733 0.394287 0.431419 H\n0.196733 0.105713 0.568581 H\n0.303267 0.605713 0.568581 H\n0.803267 0.894287 0.431419 H\n0.989005 0.575995 0.383119 H\n0.489005 0.924005 0.616881 H\n0.010995 0.424005 0.616881 H\n0.510995 0.075995 0.383119 H\n0.910465 0.575243 0.245036 H\n0.410465 0.924757 0.754964 H\n0.089535 0.424757 0.754964 H\n0.288354 0.739671 0.297819 H\n0.117794 0.661324 0.155581 H\n0.617794 0.838676 0.844419 H\n0.882206 0.338676 0.844419 H\n0.382206 0.161324 0.155581 H\n0.995529 0.521313 0.137110 H\n0.495529 0.978687 0.862890 H\n0.004471 0.478687 0.862890 H\n0.504471 0.021313 0.137110 H\n0.865898 0.169698 0.401268 H\n0.365898 0.330302 0.598732 H\n0.134102 0.830302 0.598732 H\n0.634102 0.669698 0.401268 H\n0.066371 0.328200 0.479447 H\n0.566371 0.171800 0.520553 H\n0.933629 0.671800 0.520553 H\n0.433629 0.828200 0.479447 H\n0.324177 0.461279 0.319811 H\n0.824177 0.038721 0.680189 H\n0.675823 0.538721 0.680189 H\n0.175823 0.961279 0.319811 H\n0.211646 0.239671 0.297819 H\n0.711646 0.260329 0.702181 H\n0.788354 0.760329 0.702181 H\n0.589535 0.075243 0.245036 H\n0.916407 0.214073 0.126605 Br\n0.416407 0.285927 0.873395 Br\n0.083593 0.785927 0.873395 Br\n0.583593 0.714073 0.126605 Br\n0.272961 0.446380 0.061640 Br\n0.772961 0.053620 0.938360 Br\n0.727039 0.553620 0.938360 Br\n0.227039 0.946380 0.061640 Br\n",
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"formula_full": "B40 H48 Br8",
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{
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{
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"structure_string": "Pr1 Te1\n1.0\n3.907568 0.000000 0.000000\n0.000000 3.907568 0.000000\n0.000000 0.000000 3.907568\nPr Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Te\n",
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{
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{
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{
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{
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{
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"structure_string": "Zn8 Co8 Ni16 O56\n1.0\n13.143052 0.000000 0.000000\n0.000000 7.018840 0.000000\n0.000000 3.539377 10.310019\nZn Co Ni O\n8 8 16 56\ndirect\n0.485269 0.947736 0.787161 Zn\n0.858251 0.696984 0.923307 Zn\n0.358251 0.303016 0.576693 Zn\n0.141749 0.303016 0.076693 Zn\n0.641749 0.696984 0.423307 Zn\n0.014731 0.947736 0.287161 Zn\n0.514731 0.052264 0.212839 Zn\n0.985269 0.052264 0.712839 Zn\n0.684784 0.379977 0.060207 Co\n0.184784 0.620023 0.439793 Co\n0.315216 0.620023 0.939793 Co\n0.815216 0.379977 0.560207 Co\n0.777375 0.027315 0.246021 Co\n0.277375 0.972685 0.253979 Co\n0.222625 0.972685 0.753979 Co\n0.722625 0.027315 0.746021 Co\n0.875272 0.168722 0.969418 Ni\n0.004237 0.590896 0.679128 Ni\n0.495763 0.590896 0.179128 Ni\n0.995763 0.409104 0.320872 Ni\n0.722790 0.525435 0.762108 Ni\n0.222790 0.474565 0.737892 Ni\n0.277210 0.474565 0.237892 Ni\n0.777210 0.525435 0.262108 Ni\n0.504237 0.409104 0.820872 Ni\n0.153008 0.120513 0.459172 Ni\n0.653008 0.879487 0.040828 Ni\n0.846992 0.879487 0.540828 Ni\n0.375272 0.831278 0.530582 Ni\n0.624728 0.168722 0.469418 Ni\n0.124728 0.831278 0.030582 Ni\n0.346992 0.120513 0.959172 Ni\n0.030828 0.326204 0.940673 O\n0.530828 0.673796 0.559327 O\n0.969172 0.673796 0.059327 O\n0.469172 0.326204 0.440673 O\n0.842614 0.008537 0.867401 O\n0.342614 0.991463 0.632599 O\n0.157386 0.991463 0.132599 O\n0.657386 0.008537 0.367401 O\n0.885014 0.009288 0.146261 O\n0.385014 0.990712 0.353739 O\n0.114986 0.990712 0.853739 O\n0.614986 0.009288 0.646261 O\n0.272664 0.364043 0.924225 O\n0.772664 0.635957 0.575775 O\n0.727336 0.635957 0.075775 O\n0.227336 0.364043 0.424225 O\n0.370262 0.988861 0.136266 O\n0.870262 0.011139 0.363734 O\n0.629738 0.011139 0.863734 O\n0.129738 0.988861 0.636266 O\n0.325344 0.908033 0.892872 O\n0.431664 0.644821 0.845057 O\n0.825344 0.091967 0.607128 O\n0.174656 0.908033 0.392872 O\n0.462062 0.252727 0.722826 O\n0.962062 0.747273 0.777174 O\n0.537938 0.747273 0.277174 O\n0.037938 0.252727 0.222826 O\n0.473459 0.208849 0.965936 O\n0.973459 0.791151 0.534064 O\n0.526541 0.791151 0.034064 O\n0.026541 0.208849 0.465936 O\n0.929435 0.597510 0.177227 O\n0.429435 0.402490 0.322773 O\n0.070565 0.402490 0.822773 O\n0.570565 0.597510 0.677227 O\n0.772179 0.298723 0.200492 O\n0.272179 0.701277 0.299508 O\n0.227821 0.701277 0.799508 O\n0.727821 0.298723 0.700492 O\n0.695352 0.412316 0.444367 O\n0.195352 0.587684 0.055633 O\n0.304648 0.587684 0.555633 O\n0.804648 0.412316 0.944367 O\n0.745026 0.771011 0.283019 O\n0.245026 0.228989 0.216981 O\n0.254974 0.228989 0.716981 O\n0.754974 0.771011 0.783019 O\n0.874990 0.456939 0.406008 O\n0.374990 0.543061 0.093992 O\n0.125010 0.543061 0.593992 O\n0.625010 0.456939 0.906008 O\n0.068336 0.644821 0.345057 O\n0.568336 0.355179 0.154943 O\n0.931664 0.355179 0.654943 O\n0.674656 0.091967 0.107128 O\n",
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}