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{
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{
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{
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{
"id": "mp-1027058",
"created_at": "2022-09-04T14:43:15.834353Z",
"structure_string": "Te4 Mo2 W2 S4\n1.0\n1.679895 -2.909663 0.000000\n1.679895 2.909663 0.000000\n0.000000 0.000000 40.048421\nTe Mo W S\n4 2 2 4\ndirect\n0.000000 0.000000 0.327812 Te\n0.333333 0.666667 0.423847 Te\n0.333333 0.666667 0.518162 Te\n0.000000 0.000000 0.232828 Te\n0.000000 0.000000 0.093887 Mo\n0.000000 0.000000 0.470997 Mo\n0.333333 0.666667 0.280327 W\n0.333333 0.666667 0.657720 W\n0.000000 0.000000 0.695598 S\n0.333333 0.666667 0.056133 S\n0.333333 0.666667 0.131615 S\n0.000000 0.000000 0.619822 S\n",
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{
"id": "mp-1043016",
"created_at": "2022-09-04T14:43:15.854146Z",
"structure_string": "Ca2 Sn4 O10\n1.0\n3.924326 -0.000158 0.000000\n-1.962383 5.848909 0.000000\n0.000000 0.000000 11.977068\nCa Sn O\n2 4 10\ndirect\n0.903382 0.806695 0.750000 Ca\n0.096619 0.193306 0.250000 Ca\n0.190527 0.380973 0.598560 Sn\n0.809474 0.619028 0.401439 Sn\n0.809474 0.619028 0.098561 Sn\n0.190527 0.380973 0.901440 Sn\n0.717430 0.434934 0.250000 O\n0.282571 0.565067 0.750000 O\n0.242494 0.485034 0.072637 O\n0.757508 0.514967 0.927363 O\n0.757508 0.514967 0.572637 O\n0.242494 0.485034 0.427362 O\n0.031086 0.062110 0.621863 O\n0.968914 0.937889 0.378137 O\n0.031086 0.062110 0.878137 O\n0.968914 0.937889 0.121864 O\n",
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"formula_full": "Ca2 Sn4 O10",
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{
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{
"id": "mp-1190209",
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"structure_string": "Rb2 Hf4 Br18\n1.0\n7.033740 0.000000 0.000000\n0.000000 10.318461 0.000000\n0.000000 5.410717 12.230332\nRb Hf Br\n2 4 18\ndirect\n0.590480 0.500000 0.750000 Rb\n0.409520 0.500000 0.250000 Rb\n0.259040 0.823708 0.866696 Hf\n0.740960 0.176292 0.133304 Hf\n0.259040 0.176292 0.633304 Hf\n0.740960 0.823708 0.366696 Hf\n0.108515 0.789620 0.045009 Br\n0.891485 0.210380 0.954991 Br\n0.108515 0.210380 0.454991 Br\n0.891485 0.789620 0.545009 Br\n0.112772 0.614267 0.843275 Br\n0.887228 0.385733 0.156725 Br\n0.112772 0.385733 0.656725 Br\n0.887228 0.614267 0.343275 Br\n0.972609 0.000000 0.750000 Br\n0.027391 0.000000 0.250000 Br\n0.406679 0.081944 0.842664 Br\n0.593321 0.918056 0.157336 Br\n0.406679 0.918056 0.657336 Br\n0.593321 0.081944 0.342664 Br\n0.574025 0.705221 0.941411 Br\n0.425975 0.294779 0.058589 Br\n0.574025 0.294779 0.558589 Br\n0.425975 0.705221 0.441411 Br\n",
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{
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"structure_string": "Na12 Li12 Al8 F48\n1.0\n-6.159396 6.159396 6.159396\n6.159396 -6.159396 6.159396\n6.159396 6.159396 -6.159396\nNa Li Al F\n12 12 8 48\ndirect\n0.875000 0.750000 0.625000 Na\n0.625000 0.250000 0.875000 Na\n0.250000 0.875000 0.625000 Na\n0.875000 0.625000 0.250000 Na\n0.625000 0.875000 0.750000 Na\n0.750000 0.625000 0.875000 Na\n0.125000 0.250000 0.375000 Na\n0.375000 0.750000 0.125000 Na\n0.750000 0.125000 0.375000 Na\n0.125000 0.375000 0.750000 Na\n0.250000 0.375000 0.125000 Na\n0.375000 0.125000 0.250000 Na\n0.625000 0.375000 0.250000 Li\n0.250000 0.125000 0.875000 Li\n0.750000 0.875000 0.125000 Li\n0.125000 0.750000 0.875000 Li\n0.375000 0.250000 0.625000 Li\n0.875000 0.125000 0.750000 Li\n0.875000 0.250000 0.125000 Li\n0.625000 0.750000 0.375000 Li\n0.750000 0.375000 0.625000 Li\n0.375000 0.625000 0.750000 Li\n0.125000 0.875000 0.250000 Li\n0.250000 0.625000 0.375000 Li\n0.500000 0.500000 0.500000 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.000000 0.500000 0.000000 Al\n0.500000 0.000000 0.000000 Al\n0.000000 0.000000 0.000000 Al\n0.485950 0.388709 0.317454 F\n0.902759 0.388709 0.571255 F\n0.014050 0.182546 0.111291 F\n0.597241 0.168496 0.485950 F\n0.571255 0.902759 0.388709 F\n0.014050 0.331504 0.902759 F\n0.928745 0.111291 0.597241 F\n0.388709 0.317454 0.485950 F\n0.182546 0.111291 0.014050 F\n0.317454 0.331504 0.928745 F\n0.928745 0.317454 0.331504 F\n0.388709 0.571255 0.902759 F\n0.182546 0.571255 0.168496 F\n0.168496 0.485950 0.597241 F\n0.168496 0.182546 0.571255 F\n0.111291 0.014050 0.182546 F\n0.571255 0.168496 0.182546 F\n0.485950 0.597241 0.168496 F\n0.597241 0.928745 0.111291 F\n0.331504 0.902759 0.014050 F\n0.668496 0.071255 0.682546 F\n0.097241 0.985950 0.668496 F\n0.682546 0.514050 0.611291 F\n0.611291 0.682546 0.514050 F\n0.888709 0.402759 0.071255 F\n0.071255 0.888709 0.402759 F\n0.985950 0.668496 0.097241 F\n0.428745 0.097241 0.611291 F\n0.402759 0.831504 0.514050 F\n0.985950 0.817454 0.888709 F\n0.097241 0.611291 0.428745 F\n0.514050 0.402759 0.831504 F\n0.817454 0.888709 0.985950 F\n0.682546 0.668496 0.071255 F\n0.071255 0.682546 0.668496 F\n0.611291 0.428745 0.097241 F\n0.817454 0.428745 0.831504 F\n0.831504 0.514050 0.402759 F\n0.831504 0.817454 0.428745 F\n0.888709 0.985950 0.817454 F\n0.428745 0.831504 0.817454 F\n0.402759 0.071255 0.888709 F\n0.668496 0.097241 0.985950 F\n0.514050 0.611291 0.682546 F\n0.331504 0.928745 0.317454 F\n0.902759 0.014050 0.331504 F\n0.317454 0.485950 0.388709 F\n0.111291 0.597241 0.928745 F\n",
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{
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{
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"spacegroup": 63
},
{
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"structure_string": "Li6 Mn3 Co1 O10\n1.0\n2.944977 0.000000 0.000000\n-1.011794 7.709520 0.000000\n-0.114933 -2.119812 7.890289\nLi Mn Co O\n6 3 1 10\ndirect\n0.773202 0.582266 0.895324 Li\n0.996257 0.001915 0.518106 Li\n0.202090 0.399612 0.086150 Li\n0.425453 0.816632 0.701874 Li\n0.603138 0.199239 0.299256 Li\n0.600224 0.201291 0.799779 Li\n0.012288 0.005993 0.992149 Mn\n0.189762 0.395145 0.605571 Mn\n0.408911 0.800877 0.204040 Mn\n0.784218 0.595794 0.398942 Co\n0.442580 0.824905 0.963889 O\n0.623949 0.224272 0.555074 O\n0.772902 0.604862 0.162092 O\n0.995665 0.995147 0.765975 O\n0.163468 0.411697 0.363220 O\n0.206052 0.407409 0.832612 O\n0.420408 0.788256 0.442537 O\n0.578351 0.176647 0.043332 O\n0.760377 0.574813 0.632195 O\n0.040706 0.993228 0.237881 O\n",
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{
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"structure_string": "Sr22 Ge4 N20\n1.0\n16.276899 0.000000 0.000000\n0.000000 16.276899 0.000000\n0.000000 0.000000 3.902834\nSr Ge N\n22 4 20\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Sr\n0.006376 0.777527 0.500000 Sr\n0.993624 0.222473 0.500000 Sr\n0.493624 0.277527 0.000000 Sr\n0.506376 0.722473 0.000000 Sr\n0.777527 0.006376 0.500000 Sr\n0.222473 0.993624 0.500000 Sr\n0.277527 0.493624 0.000000 Sr\n0.722473 0.506376 0.000000 Sr\n0.707473 0.707473 0.500000 Sr\n0.292527 0.292527 0.500000 Sr\n0.792527 0.207473 0.000000 Sr\n0.207473 0.792527 0.000000 Sr\n0.393863 0.879208 0.500000 Sr\n0.606137 0.120792 0.500000 Sr\n0.106137 0.379208 0.000000 Sr\n0.893863 0.620792 0.000000 Sr\n0.879208 0.393863 0.500000 Sr\n0.120792 0.606137 0.500000 Sr\n0.379208 0.106137 0.000000 Sr\n0.620792 0.893863 0.000000 Sr\n0.352769 0.647231 0.500000 Ge\n0.647231 0.352769 0.500000 Ge\n0.147231 0.147231 0.000000 Ge\n0.852769 0.852769 0.000000 Ge\n0.074739 0.925261 0.500000 N\n0.925261 0.074739 0.500000 N\n0.425261 0.425261 0.000000 N\n0.574739 0.574739 0.000000 N\n0.453936 0.177733 0.500000 N\n0.546064 0.822267 0.500000 N\n0.046064 0.677733 0.000000 N\n0.953936 0.322267 0.000000 N\n0.177733 0.453936 0.500000 N\n0.822267 0.546064 0.500000 N\n0.677733 0.046064 0.000000 N\n0.322267 0.953936 0.000000 N\n0.869197 0.130803 0.500000 N\n0.130803 0.869197 0.500000 N\n0.630803 0.630803 0.000000 N\n0.369197 0.369197 0.000000 N\n0.725050 0.274950 0.500000 N\n0.274950 0.725050 0.500000 N\n0.774950 0.774950 0.000000 N\n0.225050 0.225050 0.000000 N\n",
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"formula_full": "Sr22 Ge4 N20",
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}