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{
"id": "jvasp-58951",
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"structure_string": "Ta6 Se2 I14\n1.0\n3.807006 -6.593927 0.000000\n3.807006 6.593927 -0.000000\n-0.000000 0.000000 13.744327\nTa Se I\n6 2 14\ndirect\n0.129531 0.870470 0.750260 Ta\n0.259062 0.129531 0.250260 Ta\n0.870470 0.740939 0.250260 Ta\n0.129531 0.259062 0.750260 Ta\n0.740939 0.870470 0.750260 Ta\n0.870470 0.129531 0.250260 Ta\n0.000000 0.000000 0.888516 Se\n0.000000 0.000000 0.388515 Se\n0.830926 0.661852 0.614310 I\n0.169075 0.338149 0.114310 I\n0.661852 0.830926 0.114310 I\n0.830926 0.169075 0.614310 I\n0.666668 0.333334 0.144112 I\n0.333334 0.666668 0.644112 I\n0.994688 0.497345 0.863389 I\n0.005313 0.502657 0.363389 I\n0.497344 0.502657 0.363389 I\n0.338149 0.169075 0.614310 I\n0.502657 0.005313 0.863389 I\n0.497345 0.994688 0.363389 I\n0.502657 0.497344 0.863389 I\n0.169075 0.830926 0.114310 I\n",
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{
"id": "jvasp-97508",
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"structure_string": "V6 Pb10 Cl2 O24\n1.0\n10.443239 0.000001 -0.000000\n-5.221620 9.044110 -0.000000\n0.000000 -0.000000 7.307624\nV Pb Cl O\n6 10 2 24\ndirect\n0.972165 0.589296 0.250000 V\n0.589296 0.617130 0.750000 V\n0.410704 0.382870 0.250000 V\n0.617130 0.027835 0.250000 V\n0.382870 0.972165 0.750000 V\n0.027835 0.410704 0.750000 V\n0.256797 0.018165 0.250000 Pb\n0.333333 0.666667 0.006903 Pb\n0.761368 0.743203 0.250000 Pb\n0.333333 0.666667 0.493097 Pb\n0.018165 0.761368 0.750000 Pb\n0.981835 0.238632 0.250000 Pb\n0.743203 0.981835 0.750000 Pb\n0.666667 0.333333 0.506903 Pb\n0.666667 0.333333 0.993096 Pb\n0.238632 0.256797 0.750000 Pb\n0.000000 0.000000 0.000000 Cl\n0.000000 0.000000 0.500000 Cl\n0.395471 0.517377 0.750000 O\n0.732406 0.090363 0.061644 O\n0.517377 0.121906 0.250000 O\n0.909637 0.642043 0.061644 O\n0.878094 0.395471 0.250000 O\n0.267594 0.909637 0.938355 O\n0.732406 0.090363 0.438356 O\n0.090363 0.357957 0.938355 O\n0.498995 0.162319 0.750000 O\n0.837681 0.336676 0.750000 O\n0.501005 0.837681 0.250000 O\n0.090363 0.357957 0.561644 O\n0.482623 0.878094 0.750000 O\n0.357957 0.267594 0.061644 O\n0.663324 0.501005 0.750000 O\n0.604529 0.482623 0.250000 O\n0.162319 0.663324 0.250000 O\n0.336676 0.498995 0.250000 O\n0.267594 0.909637 0.561644 O\n0.642043 0.732406 0.938355 O\n0.121906 0.604529 0.750000 O\n0.642043 0.732406 0.561644 O\n0.909637 0.642043 0.438356 O\n0.357957 0.267594 0.438356 O\n",
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"structure_string": "Pr6 Sb10 O24\n1.0\n9.091650 -0.000000 -3.214384\n-4.545825 7.873600 -3.214384\n0.000000 0.000000 9.643151\nPr Sb O\n6 10 24\ndirect\n0.500000 0.250000 0.750000 Pr\n0.500000 0.750000 0.250001 Pr\n0.250000 0.750000 0.500000 Pr\n0.750000 0.500000 0.250001 Pr\n0.250000 0.500000 0.750000 Pr\n0.750000 0.250000 0.500000 Pr\n0.277642 0.277642 0.000000 Sb\n0.722358 0.722358 0.000001 Sb\n0.000000 0.722358 0.722358 Sb\n0.000000 0.277642 0.277642 Sb\n0.722358 0.000000 0.722358 Sb\n0.508283 0.508282 0.508283 Sb\n0.491718 0.000000 0.000000 Sb\n0.000000 0.491718 0.000000 Sb\n-0.000000 -0.000000 0.491718 Sb\n0.277642 0.000000 0.277642 Sb\n0.486937 0.289493 0.000000 O\n0.289493 0.486937 0.000000 O\n0.000000 0.289493 0.486937 O\n0.000000 0.486937 0.289493 O\n0.196689 0.196689 0.724683 O\n0.486937 0.000000 0.289493 O\n0.472006 0.275317 0.472006 O\n0.275317 0.472006 0.472006 O\n0.000000 0.527994 0.803311 O\n0.527994 -0.000000 0.803311 O\n0.803311 0.000000 0.527994 O\n0.196689 0.724683 0.196689 O\n0.724683 0.196689 0.196689 O\n0.710507 0.197444 0.710507 O\n0.000000 0.803311 0.527994 O\n0.527994 0.803311 0.000001 O\n0.472006 0.472006 0.275318 O\n0.197444 0.710507 0.710507 O\n0.513063 0.513063 0.802556 O\n0.513063 0.802556 0.513063 O\n0.289493 -0.000000 0.486937 O\n0.802556 0.513063 0.513063 O\n0.803311 0.527994 0.000001 O\n0.710507 0.710507 0.197445 O\n",
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{
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"structure_string": "Rb8\n1.0\n8.840394 0.000000 -0.000000\n-0.000000 8.840394 -0.000000\n0.000000 -0.000000 8.840394\nRb\n8\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.250001 0.000000 Rb\n0.500000 0.750001 0.000000 Rb\n0.000000 0.500000 0.250001 Rb\n0.250001 0.000000 0.500000 Rb\n0.750001 0.000000 0.500000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.500000 0.750001 Rb\n",
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{
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"created_at": "2022-09-04T14:38:29.786259Z",
"updated_at": "2022-09-04T14:38:29.786287Z",
"structure_string": "Ba6 Hf5 S16\n1.0\n4.965876 0.005309 -0.442689\n-0.044797 4.965678 -0.442689\n-0.005258 -0.005313 28.019596\nBa Hf S\n6 5 16\ndirect\n0.717911 0.717913 0.435840 Ba\n0.367313 0.367314 0.734642 Ba\n0.544432 0.544432 0.088903 Ba\n0.632687 0.632688 0.265358 Ba\n0.455568 0.455569 0.911097 Ba\n0.282089 0.282089 0.564160 Ba\n0.090220 0.090220 0.180481 Hf\n0.181201 0.181201 0.362403 Hf\n0.818799 0.818800 0.637597 Hf\n0.000000 0.000000 0.000000 Hf\n0.909780 0.909781 0.819519 Hf\n-0.000000 0.500000 -0.000000 S\n0.089589 0.589589 0.179191 S\n0.226012 0.226013 0.451913 S\n0.865051 0.865052 0.730174 S\n0.134949 0.134949 0.269826 S\n0.589589 0.089590 0.179191 S\n0.821343 0.321311 0.642624 S\n0.678690 0.178658 0.357377 S\n0.321309 0.821343 0.642624 S\n0.910411 0.410412 0.820809 S\n0.410410 0.910412 0.820809 S\n0.044954 0.044953 0.089908 S\n0.955046 0.955048 0.910092 S\n0.773988 0.773989 0.548087 S\n0.178657 0.678691 0.357377 S\n0.500000 0.000000 -0.000000 S\n",
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"structure_string": "Al4 Tl4 Cl16\n1.0\n7.005047 -0.000000 0.000000\n-0.000000 9.269492 0.000000\n0.000000 0.000000 10.643140\nAl Tl Cl\n4 4 16\ndirect\n0.750000 0.688160 0.434425 Al\n0.250000 0.188160 0.065575 Al\n0.250000 0.311840 0.565575 Al\n0.750000 0.811840 0.934424 Al\n0.250000 0.704845 0.189761 Tl\n0.750000 0.204845 0.310239 Tl\n0.750000 0.295155 0.810239 Tl\n0.250000 0.795155 0.689761 Tl\n0.250000 0.059228 0.897470 Cl\n0.750000 0.559227 0.602530 Cl\n0.750000 0.940258 0.765555 Cl\n0.250000 0.440258 0.734445 Cl\n0.250000 0.059742 0.234445 Cl\n0.750000 0.559742 0.265555 Cl\n0.498320 0.326370 0.069038 Cl\n0.501680 0.673630 0.930962 Cl\n0.998321 0.673630 0.930962 Cl\n0.001680 0.173630 0.569038 Cl\n0.250000 0.440772 0.397470 Cl\n0.498320 0.173630 0.569038 Cl\n0.001680 0.326370 0.069038 Cl\n0.998321 0.826370 0.430962 Cl\n0.501680 0.826370 0.430962 Cl\n0.750000 0.940772 0.102530 Cl\n",
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{
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"structure_string": "Rb4 I12\n1.0\n6.603756 0.000000 0.000000\n0.000000 9.734874 0.000000\n0.000000 0.000000 10.755909\nRb I\n4 12\ndirect\n0.250000 0.474845 0.830617 Rb\n0.750000 0.525154 0.169383 Rb\n0.750000 0.974845 0.669383 Rb\n0.250000 0.025155 0.330617 Rb\n0.250000 0.542730 0.374474 I\n0.750000 0.457269 0.625527 I\n0.750000 0.042730 0.125527 I\n0.250000 0.957269 0.874474 I\n0.250000 0.738896 0.578736 I\n0.750000 0.261104 0.421265 I\n0.750000 0.238896 0.921265 I\n0.250000 0.761103 0.078735 I\n0.250000 0.156523 0.655085 I\n0.750000 0.843477 0.344915 I\n0.750000 0.656522 0.844915 I\n0.250000 0.343477 0.155085 I\n",
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{
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"updated_at": "2022-09-04T14:37:31.786563Z",
"structure_string": "Al4 In4 Cl16\n1.0\n7.024115 0.000000 0.000000\n0.000000 9.319269 0.000000\n0.000000 0.000000 10.563486\nAl In Cl\n4 4 16\ndirect\n0.749999 0.812292 0.564978 Al\n0.250000 0.312292 0.935022 Al\n0.250000 0.187708 0.435022 Al\n0.749999 0.687708 0.064978 Al\n0.749999 0.283049 0.694890 In\n0.749999 0.216951 0.194890 In\n0.250000 0.716951 0.305111 In\n0.250000 0.783049 0.805111 In\n-0.001989 0.674884 0.566370 Cl\n0.250000 0.055678 0.602143 Cl\n0.749999 0.555678 0.897857 Cl\n0.250000 0.444322 0.102143 Cl\n0.001989 0.174884 0.933630 Cl\n0.749999 0.944322 0.397857 Cl\n0.498011 0.325116 0.433630 Cl\n0.749999 0.936781 0.737236 Cl\n0.749999 0.563219 0.237236 Cl\n0.501989 0.825116 0.066370 Cl\n0.501989 0.674884 0.566370 Cl\n0.498011 0.174884 0.933630 Cl\n0.250000 0.063219 0.262764 Cl\n0.001989 0.325116 0.433630 Cl\n-0.001989 0.825116 0.066370 Cl\n0.250000 0.436781 0.762765 Cl\n",
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{
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"structure_string": "Na8 Mn8 Se12\n1.0\n6.817322 0.014772 2.446672\n3.361555 9.779207 1.144312\n0.060287 -0.145229 10.402773\nNa Mn Se\n8 8 12\ndirect\n0.356929 0.191133 0.021843 Na\n0.143070 0.978158 0.808866 Na\n0.643070 0.808867 0.978157 Na\n0.856929 0.021842 0.191133 Na\n0.250000 0.280349 0.719651 Na\n0.749999 0.719651 0.280349 Na\n0.250000 0.569458 0.430542 Na\n0.750000 0.430542 0.569458 Na\n0.203089 0.634161 0.786428 Mn\n0.296911 0.213571 0.365839 Mn\n0.703089 0.786429 0.634160 Mn\n0.796910 0.365839 0.213571 Mn\n0.758040 0.082224 0.554881 Mn\n0.258040 0.554882 0.082225 Mn\n0.241959 0.917775 0.445118 Mn\n0.741960 0.445118 0.917775 Mn\n0.566425 0.279676 0.429950 Se\n0.450566 0.996240 0.224757 Se\n0.049433 0.775243 0.003760 Se\n0.549434 0.003759 0.775243 Se\n0.950567 0.224757 0.996240 Se\n0.448764 0.413697 0.852378 Se\n0.051236 0.147622 0.586303 Se\n0.551236 0.586303 0.147622 Se\n0.948763 0.852378 0.413697 Se\n0.433575 0.720324 0.570050 Se\n0.066424 0.429950 0.279676 Se\n0.933575 0.570050 0.720324 Se\n",
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