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{
"id": "oqmd-26860",
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"structure_string": "Cs18 Al2 O8\n1.0\n0.000000 0.000000 12.428017\n-7.563389 7.563389 6.214009\n-7.563389 -7.563389 -6.214009\nAl Cs O\n2 18 8\ndirect\n0.250000 0.500000 0.500000 Al\n0.750000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Cs\n0.500000 0.000000 0.000000 Cs\n0.332369 0.500000 0.164738 Cs\n0.250000 0.267997 0.267997 Cs\n0.750000 0.267997 0.267997 Cs\n0.017997 0.732003 0.267997 Cs\n0.517997 0.732003 0.267997 Cs\n0.915764 0.500000 0.331529 Cs\n0.415765 0.668470 0.499999 Cs\n0.832368 0.835262 0.499999 Cs\n0.167631 0.164738 0.500000 Cs\n0.584236 0.331529 0.500000 Cs\n0.084235 0.499999 0.668470 Cs\n0.482003 0.267997 0.732003 Cs\n0.982003 0.267997 0.732003 Cs\n0.250000 0.732003 0.732003 Cs\n0.750000 0.732003 0.732003 Cs\n0.667631 0.499999 0.835262 Cs\n0.267101 0.500001 0.362179 O\n0.595078 0.500001 0.362179 O\n0.095077 0.637821 0.499999 O\n0.767101 0.637821 0.499999 O\n0.232899 0.362179 0.500001 O\n0.904923 0.362179 0.500001 O\n0.404923 0.499999 0.637821 O\n0.732899 0.499999 0.637821 O\n",
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{
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{
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"updated_at": "2022-09-04T15:33:31.301845Z",
"structure_string": "Tl12 Ag12 As8 S24\n1.0\n11.689139 0.000000 0.085003\n0.000000 12.035592 0.000000\n-6.688154 0.000000 10.055421\nAg As S Tl\n12 8 24 12\ndirect\n0.469303 0.858333 0.043087 Ag\n0.533970 0.373220 0.080116 Ag\n0.116151 0.152624 0.188926 Ag\n0.883849 0.652624 0.311075 Ag\n0.466030 0.873219 0.419884 Ag\n0.530696 0.358333 0.456913 Ag\n0.469304 0.641666 0.543087 Ag\n0.533970 0.126780 0.580116 Ag\n0.116151 0.347376 0.688926 Ag\n0.883849 0.847376 0.811075 Ag\n0.466030 0.626780 0.919883 Ag\n0.530696 0.141666 0.956913 Ag\n0.840731 0.400858 0.096500 As\n0.505225 0.643432 0.249553 As\n0.494776 0.143432 0.250447 As\n0.159270 0.900857 0.403501 As\n0.840731 0.099143 0.596500 As\n0.505224 0.856568 0.749553 As\n0.494776 0.356568 0.750447 As\n0.159269 0.599142 0.903500 As\n0.379953 0.074453 0.038957 S\n0.994858 0.321034 0.056413 S\n0.746189 0.253722 0.137559 S\n0.635449 0.582656 0.172563 S\n0.007388 0.967718 0.195620 S\n0.425444 0.323065 0.209117 S\n0.574556 0.823065 0.290884 S\n0.992613 0.467719 0.304381 S\n0.364551 0.082656 0.327436 S\n0.253811 0.753721 0.362441 S\n0.005142 0.821034 0.443588 S\n0.620047 0.574453 0.461042 S\n0.379953 0.425547 0.538957 S\n0.994858 0.178966 0.556413 S\n0.746188 0.246279 0.637559 S\n0.635448 0.917344 0.672563 S\n0.007387 0.532281 0.695619 S\n0.425445 0.176934 0.709117 S\n0.574556 0.676935 0.790884 S\n0.992613 0.032282 0.804380 S\n0.364552 0.417344 0.827437 S\n0.253811 0.746279 0.862441 S\n0.005142 0.678966 0.943588 S\n0.620047 0.925548 0.961042 S\n0.837157 0.749931 0.063210 Tl\n0.214948 0.884741 0.102077 Tl\n0.198249 0.513971 0.222210 Tl\n0.801752 0.013971 0.277789 Tl\n0.785052 0.384741 0.397923 Tl\n0.162843 0.249930 0.436790 Tl\n0.837156 0.750069 0.563210 Tl\n0.214948 0.615259 0.602077 Tl\n0.198249 0.986030 0.722211 Tl\n0.801751 0.486028 0.777789 Tl\n0.785053 0.115260 0.897923 Tl\n0.162844 0.250069 0.936791 Tl\n",
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{
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"created_at": "2022-09-04T15:33:40.840316Z",
"updated_at": "2022-09-04T15:33:40.840353Z",
"structure_string": "Si24 O48\n1.0\n13.554085 0.000000 0.000000\n-6.777043 11.738182 0.000000\n0.000000 0.000000 8.920599\nO Si\n48 24\ndirect\n0.584601 0.169203 0.000000 O\n0.408515 0.204257 0.000000 O\n0.795742 0.204257 0.000000 O\n0.204258 0.408516 0.000000 O\n0.584602 0.415398 0.000000 O\n0.830797 0.415398 0.000000 O\n0.169202 0.584601 0.000000 O\n0.415398 0.584601 0.000000 O\n0.795742 0.591484 0.000000 O\n0.204258 0.795742 0.000000 O\n0.591484 0.795742 0.000000 O\n0.415399 0.830797 0.000000 O\n0.370917 0.000000 0.038531 O\n0.000000 0.370918 0.038531 O\n0.629082 0.629082 0.038531 O\n0.480010 0.157166 0.250000 O\n0.842835 0.322845 0.250000 O\n0.157166 0.480010 0.250000 O\n0.677156 0.519990 0.250000 O\n0.519989 0.677155 0.250000 O\n0.322845 0.842835 0.250000 O\n0.370917 0.000000 0.461470 O\n0.000000 0.370918 0.461470 O\n0.629082 0.629082 0.461470 O\n0.584601 0.169203 0.500000 O\n0.408515 0.204257 0.500000 O\n0.795742 0.204257 0.500000 O\n0.204258 0.408516 0.500000 O\n0.584602 0.415398 0.500000 O\n0.830797 0.415398 0.500000 O\n0.169202 0.584601 0.500000 O\n0.415398 0.584601 0.500000 O\n0.795742 0.591484 0.500000 O\n0.204258 0.795742 0.500000 O\n0.591484 0.795742 0.500000 O\n0.415399 0.830797 0.500000 O\n0.629083 0.000000 0.538530 O\n0.370918 0.370918 0.538530 O\n0.000000 0.629082 0.538530 O\n0.677155 0.157166 0.750000 O\n0.480010 0.322845 0.750000 O\n0.322844 0.480010 0.750000 O\n0.842835 0.519990 0.750000 O\n0.157166 0.677155 0.750000 O\n0.519990 0.842835 0.750000 O\n0.629083 0.000000 0.961469 O\n0.370918 0.370918 0.961469 O\n0.000000 0.629082 0.961469 O\n0.461444 0.131859 0.072870 Si\n0.868142 0.329585 0.072870 Si\n0.131858 0.461443 0.072870 Si\n0.670416 0.538557 0.072870 Si\n0.538556 0.670415 0.072870 Si\n0.329585 0.868141 0.072870 Si\n0.461444 0.131859 0.427131 Si\n0.868142 0.329585 0.427131 Si\n0.131858 0.461443 0.427131 Si\n0.670416 0.538557 0.427131 Si\n0.538556 0.670415 0.427131 Si\n0.329585 0.868141 0.427131 Si\n0.670415 0.131859 0.572870 Si\n0.461443 0.329585 0.572870 Si\n0.329585 0.461443 0.572870 Si\n0.868141 0.538557 0.572870 Si\n0.131858 0.670415 0.572870 Si\n0.538556 0.868141 0.572870 Si\n0.670415 0.131859 0.927131 Si\n0.461443 0.329585 0.927131 Si\n0.329585 0.461443 0.927131 Si\n0.868141 0.538557 0.927131 Si\n0.131858 0.670415 0.927131 Si\n0.538556 0.868141 0.927131 Si\n",
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{
"id": "oqmd-1239639",
"created_at": "2022-09-04T15:40:54.074771Z",
"updated_at": "2022-09-04T15:40:54.074791Z",
"structure_string": "Rb2 Nd4\n1.0\n6.305718 3.640608 10.297194\n-6.305718 3.640608 10.297194\n0.000000 -7.281215 10.297194\nNd Rb\n4 2\ndirect\n0.625000 0.625000 0.125001 Nd\n0.625000 0.125001 0.625000 Nd\n0.125001 0.625000 0.625000 Nd\n0.625000 0.625000 0.625000 Nd\n0.500000 0.500000 0.500000 Rb\n0.750000 0.750000 0.750000 Rb\n",
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{
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"created_at": "2022-09-04T15:21:54.260650Z",
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"structure_string": "Rb16 Ga8 As16\n1.0\n10.998134 0.000000 -0.013062\n0.000000 14.916288 0.000000\n-2.882832 0.000000 8.647873\nAs Ga Rb\n16 8 16\ndirect\n0.278678 0.962021 0.006487 As\n0.257342 0.553819 0.055072 As\n0.711957 0.193772 0.084859 As\n0.274331 0.287091 0.160599 As\n0.225669 0.787091 0.339401 As\n0.788043 0.693772 0.415141 As\n0.242658 0.053819 0.444928 As\n0.221322 0.462021 0.493513 As\n0.778678 0.537979 0.506488 As\n0.757342 0.946181 0.555072 As\n0.211957 0.306228 0.584859 As\n0.774331 0.212909 0.660599 As\n0.725669 0.712909 0.839400 As\n0.288043 0.806228 0.915141 As\n0.742658 0.446181 0.944928 As\n0.721321 0.037979 0.993513 As\n0.255320 0.714326 0.116444 Ga\n0.243419 0.439334 0.240934 Ga\n0.256581 0.939334 0.259066 Ga\n0.244680 0.214325 0.383556 Ga\n0.755319 0.785675 0.616444 Ga\n0.743419 0.060667 0.740934 Ga\n0.756582 0.560666 0.759067 Ga\n0.744681 0.285674 0.883556 Ga\n0.038392 0.129162 0.013708 Rb\n0.570429 0.614570 0.071042 Rb\n0.594705 0.867383 0.179546 Rb\n0.975203 0.611050 0.185058 Rb\n0.524797 0.111050 0.314943 Rb\n0.905294 0.367382 0.320454 Rb\n0.929571 0.114569 0.428959 Rb\n0.461608 0.629162 0.486293 Rb\n0.538392 0.370838 0.513708 Rb\n0.070429 0.885430 0.571041 Rb\n0.094706 0.632618 0.679546 Rb\n0.475203 0.888950 0.685057 Rb\n0.024797 0.388950 0.814943 Rb\n0.405294 0.132617 0.820454 Rb\n0.429571 0.385430 0.928958 Rb\n0.961608 0.870838 0.986292 Rb\n",
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{
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"created_at": "2022-09-04T15:18:08.478218Z",
"updated_at": "2022-09-04T15:18:08.478239Z",
"structure_string": "K20 Sn4 Sb12\n1.0\n9.918436 0.000000 -0.017957\n0.000000 8.794689 0.000000\n-9.920259 0.000000 16.273274\nK Sb Sn\n20 12 4\ndirect\n0.412549 0.482059 0.076950 K\n0.000614 0.324024 0.079188 K\n0.287224 0.994632 0.087417 K\n0.318248 0.662840 0.240955 K\n0.936780 0.505216 0.242887 K\n0.063220 0.005217 0.257113 K\n0.681751 0.162839 0.259045 K\n0.712776 0.494631 0.412583 K\n0.999386 0.824023 0.420813 K\n0.587451 0.982060 0.423050 K\n0.412549 0.017940 0.576950 K\n0.000614 0.175977 0.579188 K\n0.287225 0.505367 0.587417 K\n0.318248 0.837161 0.740954 K\n0.936780 0.994783 0.742887 K\n0.063220 0.494784 0.757112 K\n0.681751 0.337160 0.759045 K\n0.712776 0.005368 0.912583 K\n0.999387 0.675976 0.920812 K\n0.587451 0.517941 0.923050 K\n0.646580 0.190510 0.065661 Sb\n0.925620 0.738596 0.080481 Sb\n0.649322 0.765485 0.228009 Sb\n0.350679 0.265485 0.271991 Sb\n0.074379 0.238596 0.419519 Sb\n0.353419 0.690510 0.434339 Sb\n0.646581 0.309490 0.565661 Sb\n0.925620 0.761404 0.580481 Sb\n0.649322 0.734515 0.728009 Sb\n0.350678 0.234515 0.771991 Sb\n0.074380 0.261404 0.919519 Sb\n0.353419 0.809490 0.934339 Sb\n0.661401 0.856621 0.086760 Sn\n0.338598 0.356621 0.413240 Sn\n0.661401 0.643379 0.586761 Sn\n0.338598 0.143379 0.913239 Sn\n",
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{
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