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{
"id": "mp-631383",
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"structure_string": "Mn1 Cr1 Re1\n1.0\n0.000000 2.869254 2.869254\n2.869254 0.000000 2.869254\n2.869254 2.869254 0.000000\nMn Cr Re\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Cr\n0.750000 0.750000 0.750000 Re\n",
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{
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{
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"structure_string": "Co8 H84 S12 N24 O48\n1.0\n10.124140 0.000000 -5.070702\n0.000000 10.032462 0.000000\n-0.207559 0.000000 15.899100\nCo H S N O\n8 84 12 24 48\ndirect\n0.265344 0.458492 0.758268 Co\n0.734656 0.958492 0.741732 Co\n0.734656 0.541508 0.241732 Co\n0.265344 0.041508 0.258268 Co\n0.995336 0.461555 0.674936 Co\n0.004664 0.961555 0.825064 Co\n0.004664 0.538445 0.325064 Co\n0.995336 0.038445 0.174936 Co\n0.124592 0.376738 0.858557 H\n0.875408 0.876738 0.641443 H\n0.875408 0.623262 0.141443 H\n0.124592 0.123262 0.358557 H\n0.125661 0.656717 0.694800 H\n0.874339 0.156717 0.805200 H\n0.874339 0.343283 0.305200 H\n0.125661 0.843283 0.194800 H\n0.134867 0.328027 0.613897 H\n0.865133 0.828027 0.886103 H\n0.865133 0.671973 0.386103 H\n0.134867 0.171973 0.113897 H\n0.363215 0.573873 0.658390 H\n0.636785 0.073873 0.841610 H\n0.636785 0.426127 0.341610 H\n0.363215 0.926127 0.158390 H\n0.385289 0.676656 0.748817 H\n0.614711 0.176656 0.751183 H\n0.614711 0.323344 0.251183 H\n0.385289 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0.703017 H\n0.210863 0.949098 0.796983 H\n0.210863 0.550902 0.296983 H\n0.789137 0.050902 0.203017 H\n0.839968 0.600649 0.711751 H\n0.160032 0.100649 0.788249 H\n0.160032 0.399351 0.288249 H\n0.839968 0.899351 0.211751 H\n0.912232 0.556840 0.519652 H\n0.087768 0.056840 0.980348 H\n0.087768 0.443160 0.480348 H\n0.912232 0.943160 0.019652 H\n0.928216 0.744841 0.212218 H\n0.071784 0.244841 0.287782 H\n0.071784 0.255159 0.787782 H\n0.928216 0.755159 0.712218 H\n0.809157 0.590009 0.560551 H\n0.190843 0.090009 0.939449 H\n0.190843 0.409991 0.439449 H\n0.809157 0.909991 0.060551 H\n0.869287 0.241832 0.642168 H\n0.130713 0.741832 0.857832 H\n0.130713 0.758168 0.357832 H\n0.869287 0.258168 0.142168 H\n0.913531 0.271958 0.557990 H\n0.086469 0.771958 0.942010 H\n0.086469 0.728042 0.442010 H\n0.913531 0.228042 0.057990 H\n0.785267 0.348940 0.558265 H\n0.214733 0.848940 0.941735 H\n0.214733 0.651060 0.441735 H\n0.785267 0.151060 0.058265 H\n0.470123 0.406365 0.521422 S\n0.529877 0.906365 0.978578 S\n0.529877 0.593635 0.478578 S\n0.470123 0.093635 0.021422 S\n0.210504 0.081403 0.548438 S\n0.789496 0.581403 0.951562 S\n0.789496 0.918597 0.451562 S\n0.210504 0.418597 0.048438 S\n0.268617 0.886053 0.617961 S\n0.731383 0.386053 0.882039 S\n0.731383 0.113947 0.382039 S\n0.268617 0.613947 0.117961 S\n0.390779 0.580650 0.729391 N\n0.609221 0.080650 0.770609 N\n0.609221 0.419350 0.270609 N\n0.390779 0.919350 0.229391 N\n0.378979 0.491850 0.898022 N\n0.621021 0.991850 0.601978 N\n0.621021 0.508150 0.101978 N\n0.378979 0.008150 0.398022 N\n0.373388 0.299653 0.766231 N\n0.626612 0.799653 0.733769 N\n0.626612 0.700347 0.233769 N\n0.373388 0.200347 0.266231 N\n0.874527 0.505445 0.728584 N\n0.125473 0.005445 0.771416 N\n0.125473 0.494555 0.271416 N\n0.874527 0.994555 0.228584 N\n0.908965 0.588293 0.579932 N\n0.091035 0.088293 0.920068 N\n0.091035 0.411707 0.420068 N\n0.908965 0.911707 0.079932 N\n0.879925 0.315818 0.601365 N\n0.120075 0.815818 0.898635 N\n0.120075 0.684182 0.398635 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O\n0.133515 0.050277 0.446577 O\n0.866485 0.550277 0.053423 O\n0.866485 0.949723 0.553423 O\n0.133515 0.449723 0.946577 O\n0.398471 0.450282 0.573396 O\n0.601529 0.950282 0.926604 O\n0.601529 0.549718 0.426604 O\n0.398471 0.049718 0.073396 O\n0.382569 0.339430 0.431259 O\n0.617431 0.839430 0.068741 O\n0.617431 0.660570 0.568741 O\n0.382569 0.160570 0.931259 O\n0.595411 0.335649 0.578375 O\n0.404589 0.835649 0.921625 O\n0.404589 0.664351 0.421625 O\n0.595411 0.164351 0.078375 O\n",
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"formula_full": "Co8 H84 S12 N24 O48",
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},
{
"id": "mp-622693",
"created_at": "2022-09-04T14:42:39.827494Z",
"structure_string": "Mn4 Ni2 O8\n1.0\n4.132905 4.140922 0.000000\n-4.132905 4.140922 0.000000\n0.000000 4.129649 4.611279\nMn Ni O\n4 2 8\ndirect\n0.502084 0.999931 0.996480 Mn\n0.999931 0.502084 0.496480 Mn\n0.501850 0.501837 0.497721 Mn\n0.501837 0.501850 0.997721 Mn\n0.878737 0.128050 0.243528 Ni\n0.128050 0.878737 0.743528 Ni\n0.250133 0.723241 0.498177 O\n0.723241 0.250133 0.998177 O\n0.744972 0.723622 0.508671 O\n0.280291 0.250992 0.997433 O\n0.250992 0.280291 0.497433 O\n0.723622 0.744972 0.008671 O\n0.746115 0.268671 0.508207 O\n0.268671 0.746115 0.008207 O\n",
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{
"id": "mp-1199892",
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"structure_string": "Rb4 Ge4 B12 O28\n1.0\n7.048447 0.000000 0.000000\n0.000000 9.495971 0.000000\n0.000000 0.000000 9.613718\nRb Ge B O\n4 4 12 28\ndirect\n0.754130 0.514637 0.174358 Rb\n0.254130 0.485363 0.825642 Rb\n0.254130 0.985363 0.674358 Rb\n0.754130 0.014637 0.325642 Rb\n0.270664 0.756976 0.100142 Ge\n0.770664 0.243024 0.899858 Ge\n0.770664 0.743024 0.600142 Ge\n0.270664 0.256976 0.399858 Ge\n0.305178 0.525237 0.276935 B\n0.805178 0.474763 0.723065 B\n0.805178 0.974763 0.776935 B\n0.305178 0.025237 0.223065 B\n0.896699 0.822836 0.981266 B\n0.396699 0.177164 0.018734 B\n0.396699 0.677164 0.481266 B\n0.896699 0.322836 0.518734 B\n0.565790 0.848930 0.925516 B\n0.065790 0.151070 0.074484 B\n0.065790 0.651070 0.425516 B\n0.565790 0.348930 0.574484 B\n0.609033 0.937823 0.818988 O\n0.109033 0.062177 0.181012 O\n0.109033 0.562177 0.318988 O\n0.609033 0.437823 0.681012 O\n0.705165 0.796260 0.014109 O\n0.205165 0.203740 0.985891 O\n0.205165 0.703740 0.514109 O\n0.705165 0.296260 0.485891 O\n0.445363 0.584526 0.379389 O\n0.945363 0.415474 0.620611 O\n0.945363 0.915474 0.879389 O\n0.445363 0.084526 0.120611 O\n0.022249 0.748941 0.063895 O\n0.522249 0.251059 0.936105 O\n0.522249 0.751059 0.563895 O\n0.022249 0.248941 0.436105 O\n0.378394 0.807576 0.939142 O\n0.878394 0.192424 0.060858 O\n0.878394 0.692424 0.439142 O\n0.378394 0.307576 0.560858 O\n0.344345 0.583846 0.136141 O\n0.844345 0.416154 0.863859 O\n0.844345 0.916154 0.636141 O\n0.344345 0.083846 0.363859 O\n0.328770 0.872193 0.235835 O\n0.828770 0.127807 0.764165 O\n0.828770 0.627807 0.735835 O\n0.328770 0.372193 0.264165 O\n",
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{
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"structure_string": "Cu6 F2\n1.0\n2.599577 -4.502599 0.000000\n2.599577 4.502599 0.000000\n0.000000 0.000000 4.104725\nCu F\n6 2\ndirect\n0.163323 0.326647 0.250000 Cu\n0.673353 0.836677 0.250000 Cu\n0.163323 0.836677 0.250000 Cu\n0.836677 0.673353 0.750000 Cu\n0.326647 0.163323 0.750000 Cu\n0.836677 0.163323 0.750000 Cu\n0.333333 0.666667 0.750000 F\n0.666667 0.333333 0.250000 F\n",
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},
{
"id": "mp-1193017",
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"structure_string": "Gd6 Zn23\n1.0\n0.000000 6.455964 6.455964\n6.455964 0.000000 6.455964\n6.455964 6.455964 0.000000\nGd Zn\n6 23\ndirect\n0.707914 0.707914 0.292086 Gd\n0.292086 0.707914 0.292086 Gd\n0.707914 0.292086 0.292086 Gd\n0.292086 0.292086 0.707914 Gd\n0.707914 0.292086 0.707914 Gd\n0.292086 0.707914 0.707914 Gd\n0.000000 0.000000 0.000000 Zn\n0.000000 0.000000 0.500000 Zn\n0.500000 0.000000 0.500000 Zn\n0.000000 0.500000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.000000 0.500000 0.000000 Zn\n0.500000 0.000000 0.000000 Zn\n0.877090 0.877090 0.368731 Zn\n0.877090 0.368731 0.877090 Zn\n0.368731 0.877090 0.877090 Zn\n0.877090 0.877090 0.877090 Zn\n0.122910 0.122910 0.631269 Zn\n0.122910 0.631269 0.122910 Zn\n0.631269 0.122910 0.122910 Zn\n0.122910 0.122910 0.122910 Zn\n0.672159 0.672159 0.983524 Zn\n0.672159 0.983524 0.672159 Zn\n0.983524 0.672159 0.672159 Zn\n0.672159 0.672159 0.672159 Zn\n0.327841 0.327841 0.016476 Zn\n0.327841 0.016476 0.327841 Zn\n0.016476 0.327841 0.327841 Zn\n0.327841 0.327841 0.327841 Zn\n",
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