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{
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{
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"structure_string": "Sr2 Ho1 Cu3 Pb2 O8\n1.0\n3.828982 0.000000 0.000000\n0.000000 3.828982 0.000000\n0.000000 0.000000 15.991515\nSr Ho Cu Pb O\n2 1 3 2 8\ndirect\n0.000000 0.000000 0.779283 Sr\n0.000000 0.000000 0.220717 Sr\n0.000000 0.000000 0.000000 Ho\n0.000000 0.000000 0.500000 Cu\n0.500000 0.500000 0.896698 Cu\n0.500000 0.500000 0.103302 Cu\n0.500000 0.500000 0.387463 Pb\n0.500000 0.500000 0.612537 Pb\n0.000000 0.500000 0.909623 O\n0.500000 0.000000 0.090377 O\n0.000000 0.500000 0.090377 O\n0.500000 0.000000 0.909623 O\n0.000000 0.000000 0.383508 O\n0.500000 0.500000 0.749271 O\n0.500000 0.500000 0.250729 O\n0.000000 0.000000 0.616492 O\n",
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{
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"created_at": "2022-09-04T14:46:55.213012Z",
"structure_string": "Co2 P2 H28 N8 O14\n1.0\n7.551063 0.000000 0.000000\n0.000000 7.352594 0.000000\n0.000000 0.788454 11.894910\nCo P H N O\n2 2 28 8 14\ndirect\n0.673888 0.738361 0.886821 Co\n0.173888 0.261639 0.113179 Co\n0.643972 0.811638 0.068437 P\n0.143972 0.188362 0.931563 P\n0.826180 0.550152 0.499878 H\n0.326180 0.449848 0.500122 H\n0.190070 0.035763 0.685354 H\n0.690070 0.964237 0.314646 H\n0.925240 0.400447 0.876910 H\n0.425240 0.599553 0.123090 H\n0.111609 0.710810 0.096316 H\n0.611609 0.289190 0.903684 H\n0.052295 0.019354 0.923115 H\n0.552295 0.980646 0.076885 H\n0.062592 0.590754 0.989658 H\n0.562592 0.409246 0.010342 H\n0.447784 0.825394 0.852747 H\n0.947784 0.174606 0.147253 H\n0.431491 0.143357 0.236439 H\n0.931491 0.856643 0.763561 H\n0.483047 0.796530 0.794418 H\n0.983047 0.203470 0.205582 H\n0.656747 0.839535 0.496354 H\n0.156747 0.160465 0.503646 H\n0.384641 0.249005 0.767251 H\n0.884641 0.750995 0.232749 H\n0.741522 0.948292 0.714592 H\n0.241522 0.051708 0.285408 H\n0.478117 0.727824 0.509305 H\n0.978117 0.272176 0.490695 H\n0.760186 0.417391 0.415231 H\n0.260186 0.582609 0.584769 H\n0.172928 0.896148 0.705632 N\n0.672928 0.103852 0.294368 N\n0.166864 0.644099 0.031999 N\n0.666864 0.355901 0.968001 N\n0.501869 0.194574 0.626050 N\n0.001869 0.805426 0.373950 N\n0.797831 0.868651 0.778731 N\n0.297831 0.131349 0.221269 N\n0.831455 0.834078 0.112773 O\n0.331455 0.165922 0.887227 O\n0.767820 0.503843 0.916936 O\n0.267820 0.496157 0.083064 O\n0.881795 0.700583 0.314866 O\n0.381795 0.299417 0.685134 O\n0.536602 0.669642 0.148118 O\n0.036602 0.330358 0.851882 O\n0.545308 0.831623 0.536903 O\n0.045308 0.168377 0.463097 O\n0.982089 0.778150 0.473200 O\n0.482089 0.221850 0.526800 O\n0.790859 0.423081 0.494385 O\n0.290859 0.576919 0.505615 O\n",
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"formula_full": "Co2 P2 H28 N8 O14",
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"spacegroup": 4
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{
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"created_at": "2022-09-04T14:47:02.311964Z",
"structure_string": "La2 Fe2 Si4\n1.0\n2.081568 -8.548742 0.000000\n2.081568 8.548742 0.000000\n0.000000 0.000000 4.056219\nLa Fe Si\n2 2 4\ndirect\n0.892321 0.107679 0.750000 La\n0.107679 0.892321 0.250000 La\n0.250156 0.749844 0.750000 Fe\n0.749844 0.250156 0.250000 Fe\n0.689897 0.310103 0.750000 Si\n0.310103 0.689897 0.250000 Si\n0.537498 0.462502 0.750000 Si\n0.462502 0.537498 0.250000 Si\n",
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{
"id": "mp-1233816",
"created_at": "2022-09-04T14:46:41.628425Z",
"structure_string": "Ca1 V6 O11 F1\n1.0\n5.121887 -0.682862 -0.067177\n-0.682546 5.340460 0.099723\n-0.112152 0.170552 8.598671\nCa V O F\n1 6 11 1\ndirect\n0.143582 0.566434 0.350201 Ca\n0.995937 0.995613 0.000737 V\n0.954438 0.004458 0.334890 V\n0.999608 0.997088 0.664378 V\n0.576514 0.406566 0.156255 V\n0.396242 0.596474 0.837500 V\n0.580012 0.406514 0.531965 V\n0.128981 0.856937 0.172664 O\n0.137979 0.855615 0.520428 O\n0.178696 0.812540 0.836997 O\n0.297289 0.320735 0.998246 O\n0.338088 0.255936 0.332247 O\n0.285103 0.325106 0.678345 O\n0.663660 0.694694 0.001693 O\n0.691152 0.648918 0.334825 O\n0.664848 0.702459 0.674439 O\n0.813600 0.216159 0.159977 O\n0.836141 0.200169 0.498581 O\n0.818131 0.151473 0.822771 F\n",
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{
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"structure_string": "Ca1 Mg30 Mn1 O32\n1.0\n8.571637 0.000000 0.000000\n0.000000 8.571637 0.000000\n0.000000 0.000000 8.571001\nCa Mg Mn O\n1 30 1 32\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.251839 0.251839 0.000000 Mg\n0.748161 0.251839 0.000000 Mg\n0.251839 0.748161 0.000000 Mg\n0.748161 0.748161 0.000000 Mg\n0.250095 0.250095 0.500000 Mg\n0.749905 0.250095 0.500000 Mg\n0.250095 0.749905 0.500000 Mg\n0.749905 0.749905 0.500000 Mg\n0.252819 0.000000 0.252679 Mg\n0.747181 0.000000 0.252679 Mg\n0.249141 0.500000 0.250931 Mg\n0.750859 0.500000 0.250931 Mg\n0.252819 0.000000 0.747321 Mg\n0.747181 0.000000 0.747321 Mg\n0.249141 0.500000 0.749069 Mg\n0.750859 0.500000 0.749069 Mg\n0.000000 0.252819 0.252679 Mg\n0.500000 0.249141 0.250931 Mg\n0.000000 0.747181 0.252679 Mg\n0.500000 0.750859 0.250931 Mg\n0.000000 0.252819 0.747321 Mg\n0.500000 0.249141 0.749069 Mg\n0.000000 0.747181 0.747321 Mg\n0.500000 0.750859 0.749069 Mg\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.262183 O\n0.500000 0.000000 0.252613 O\n0.000000 0.500000 0.252613 O\n0.500000 0.500000 0.256263 O\n0.000000 0.000000 0.737817 O\n0.500000 0.000000 0.747387 O\n0.000000 0.500000 0.747387 O\n0.500000 0.500000 0.743737 O\n0.249996 0.249996 0.249494 O\n0.750004 0.249996 0.249494 O\n0.249996 0.750004 0.249494 O\n0.750004 0.750004 0.249494 O\n0.249996 0.249996 0.750506 O\n0.750004 0.249996 0.750506 O\n0.249996 0.750004 0.750506 O\n0.750004 0.750004 0.750506 O\n0.261465 0.000000 0.000000 O\n0.738535 0.000000 0.000000 O\n0.245789 0.500000 0.000000 O\n0.754211 0.500000 0.000000 O\n0.251799 0.000000 0.500000 O\n0.748201 0.000000 0.500000 O\n0.249469 0.500000 0.500000 O\n0.750531 0.500000 0.500000 O\n0.000000 0.261465 0.000000 O\n0.500000 0.245789 0.000000 O\n0.000000 0.738535 0.000000 O\n0.500000 0.754211 0.000000 O\n0.000000 0.251799 0.500000 O\n0.500000 0.249469 0.500000 O\n0.000000 0.748201 0.500000 O\n0.500000 0.750531 0.500000 O\n",
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{
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{
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0.245300 H\n0.074862 0.657278 0.745300 H\n0.574862 0.342722 0.754700 H\n0.925138 0.342722 0.254700 H\n0.316870 0.483086 0.266958 H\n0.183130 0.483086 0.766958 H\n0.683130 0.516914 0.733042 H\n0.816870 0.516914 0.233042 H\n0.463260 0.413936 0.260697 H\n0.036740 0.413936 0.760697 H\n0.536740 0.586064 0.739303 H\n0.963260 0.586064 0.239303 H\n0.207876 0.776921 0.149783 H\n0.292124 0.776921 0.649783 H\n0.792124 0.223079 0.850217 H\n0.707876 0.223079 0.350217 H\n0.197574 0.634542 0.105139 H\n0.302426 0.634542 0.605139 H\n0.802426 0.365458 0.894861 H\n0.697574 0.365458 0.394861 H\n0.140054 0.551459 0.167992 H\n0.359946 0.551459 0.667992 H\n0.859946 0.448541 0.832008 H\n0.640054 0.448541 0.332008 H\n0.579303 0.577716 0.139237 H\n0.920697 0.577716 0.639237 H\n0.420697 0.422284 0.860763 H\n0.079303 0.422284 0.360763 H\n0.485737 0.630383 0.085161 H\n0.014263 0.630383 0.585161 H\n0.514263 0.369617 0.914839 H\n0.985737 0.369617 0.414839 H\n0.500090 0.793105 0.124152 H\n0.999910 0.793105 0.624152 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{
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"structure_string": "Fe4 Te3 Se1\n1.0\n3.642110 0.000000 0.000000\n0.000000 3.652572 6.422325\n0.000000 -3.652572 6.422325\nFe Te Se\n4 3 1\ndirect\n0.500000 0.253386 0.753386 Fe\n0.500000 0.751294 0.251294 Fe\n0.000000 0.006139 0.998827 Fe\n0.000000 0.498827 0.506139 Fe\n0.000000 0.892798 0.392798 Te\n0.500000 0.359022 0.361004 Te\n0.500000 0.861004 0.859022 Te\n0.000000 0.377529 0.877529 Se\n",
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{
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{
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"structure_string": "K2 Pt1 O6\n1.0\n3.694385 -3.287869 0.000000\n3.694385 3.287869 0.000000\n0.768301 0.000000 4.885517\nK Pt O\n2 1 6\ndirect\n0.348643 0.348643 0.348643 K\n0.651357 0.651357 0.651357 K\n0.000000 0.000000 0.000000 Pt\n0.073890 0.901183 0.406651 O\n0.406651 0.073890 0.901183 O\n0.901183 0.406651 0.073890 O\n0.926110 0.098817 0.593349 O\n0.593349 0.926110 0.098817 O\n0.098817 0.593349 0.926110 O\n",
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]
}