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"structure_string": "Th4 Se8 O28\n1.0\n7.054938 0.014153 0.000000\n-2.038080 8.851224 0.000000\n0.000000 0.000000 9.652907\nTh Se O\n4 8 28\ndirect\n0.789971 0.132984 0.460006 Th\n0.789970 0.632983 0.039994 Th\n0.210030 0.867016 0.539994 Th\n0.210030 0.367016 0.960006 Th\n0.671966 0.248045 0.096142 Se\n0.877586 0.983260 0.819408 Se\n0.122414 0.516739 0.319408 Se\n0.671966 0.748044 0.403858 Se\n0.122414 0.016739 0.180592 Se\n0.328034 0.751955 0.903858 Se\n0.328034 0.251955 0.596142 Se\n0.877586 0.483260 0.680592 Se\n0.271941 0.646348 0.414872 O\n0.257492 0.474654 0.191258 O\n0.548528 0.889994 0.442589 O\n0.271941 0.146348 0.085128 O\n0.103644 0.124585 0.562084 O\n0.952612 0.136793 0.915250 O\n0.451472 0.110005 0.557411 O\n0.896356 0.875414 0.437917 O\n0.952612 0.636793 0.584751 O\n0.060478 0.406437 0.732448 O\n0.896356 0.375414 0.062083 O\n0.728059 0.353651 0.585129 O\n0.060478 0.906437 0.767552 O\n0.742508 0.025346 0.691259 O\n0.658716 0.245775 0.273082 O\n0.341284 0.754225 0.726919 O\n0.257492 0.974653 0.308742 O\n0.728059 0.853651 0.914872 O\n0.939522 0.093562 0.232448 O\n0.341284 0.254225 0.773082 O\n0.548528 0.389994 0.057411 O\n0.047388 0.363206 0.415250 O\n0.451472 0.610005 0.942589 O\n0.103644 0.624585 0.937917 O\n0.742508 0.525346 0.808742 O\n0.047388 0.863206 0.084750 O\n0.939522 0.593562 0.267552 O\n0.658716 0.745774 0.226918 O\n",
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{
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"structure_string": "Y16 O24\n1.0\n8.691290 -0.000000 -3.072835\n-4.345645 7.526878 -3.072835\n0.000000 -0.000000 9.218505\nY O\n16 24\ndirect\n0.500000 0.500000 0.500000 Y\n0.250000 0.717595 0.467595 Y\n0.032406 0.750000 0.782406 Y\n0.782405 0.032405 0.750000 Y\n0.467595 0.250000 0.717595 Y\n0.717595 0.467595 0.250000 Y\n0.750000 0.282405 0.532405 Y\n0.750001 0.782406 0.032405 Y\n0.217595 0.967595 0.250000 Y\n0.532406 0.750000 0.282405 Y\n0.282406 0.532406 0.750000 Y\n0.250000 0.217595 0.967595 Y\n0.000000 0.500000 -0.000000 Y\n0.500000 0.000000 -0.000000 Y\n0.967595 0.250000 0.217594 Y\n0.000000 0.000000 0.500000 Y\n0.957170 0.727971 0.988763 O\n0.542830 0.531594 0.770801 O\n0.239208 0.968407 0.511237 O\n0.729199 0.260793 0.772029 O\n0.031594 0.488763 0.760793 O\n0.988764 0.957170 0.727970 O\n0.227971 0.270801 0.739208 O\n0.272029 0.011237 0.042830 O\n0.229199 0.457170 0.468407 O\n0.457170 0.468407 0.229199 O\n0.760793 0.031593 0.488763 O\n0.270801 0.739208 0.227971 O\n0.042830 0.272029 0.011237 O\n0.260793 0.772029 0.729199 O\n0.488764 0.760793 0.031593 O\n0.011237 0.042830 0.272029 O\n0.468407 0.229199 0.457170 O\n0.968407 0.511237 0.239207 O\n0.772030 0.729199 0.260792 O\n0.727972 0.988764 0.957170 O\n0.770801 0.542830 0.531593 O\n0.531594 0.770801 0.542830 O\n0.739208 0.227971 0.270801 O\n0.511237 0.239208 0.968407 O\n",
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{
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"structure_string": "Sn4 Cl16\n1.0\n0.000000 9.662098 -0.089719\n6.538849 0.000000 0.000000\n0.000000 -2.126545 -9.525955\nSn Cl\n4 16\ndirect\n0.247231 0.081001 0.872667 Sn\n0.752770 0.581001 0.627334 Sn\n0.752770 0.919000 0.127334 Sn\n0.247230 0.418999 0.372667 Sn\n0.563760 0.087245 0.191176 Cl\n0.436241 0.587245 0.308825 Cl\n0.313369 0.415013 0.934532 Cl\n0.686632 0.915013 0.565469 Cl\n0.686631 0.584987 0.065469 Cl\n0.313369 0.084987 0.434531 Cl\n0.056351 0.077773 0.682969 Cl\n0.943650 0.922227 0.317032 Cl\n0.563760 0.412755 0.691176 Cl\n0.056351 0.422227 0.182969 Cl\n0.187109 0.587898 0.561034 Cl\n0.812892 0.087898 0.938967 Cl\n0.812892 0.412102 0.438967 Cl\n0.187109 0.912102 0.061034 Cl\n0.943650 0.577774 0.817032 Cl\n0.436241 0.912755 0.808825 Cl\n",
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{
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"created_at": "2022-09-04T14:38:09.017438Z",
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"structure_string": "In2 Pb4 I10\n1.0\n7.969657 -0.000000 -4.041905\n-2.049899 7.701516 -4.041905\n-0.014835 -0.019301 9.848817\nIn Pb I\n2 4 10\ndirect\n0.250000 0.250000 0.500000 In\n0.750000 0.750000 0.500001 In\n0.160185 0.660185 0.000001 Pb\n0.839815 0.339815 0.000001 Pb\n0.660185 0.839815 0.000001 Pb\n0.339815 0.160185 0.000000 Pb\n0.797894 0.297894 0.284996 I\n0.202106 0.702107 0.715006 I\n0.487102 0.987102 0.284996 I\n0.512898 0.012899 0.715005 I\n0.000000 0.000000 0.000000 I\n0.500000 0.500000 0.000001 I\n0.702106 0.512899 0.715006 I\n0.297893 0.487102 0.284996 I\n0.012898 0.202107 0.715005 I\n0.987102 0.797894 0.284996 I\n",
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{
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"structure_string": "Si12 O24\n1.0\n4.984739 -0.000000 0.000000\n0.000000 10.857892 -2.502827\n-0.000000 0.030723 11.142577\nSi O\n12 24\ndirect\n0.376485 0.380376 0.619624 Si\n0.514538 0.993758 0.416446 Si\n0.014538 0.006241 0.583554 Si\n0.014538 0.416446 0.993758 Si\n0.907512 0.755599 0.659518 Si\n0.514538 0.583554 0.006241 Si\n0.907512 0.340481 0.244401 Si\n0.407512 0.659518 0.755599 Si\n0.375194 0.723214 0.276786 Si\n0.875194 0.276786 0.723214 Si\n0.407512 0.244401 0.340482 Si\n0.876486 0.619624 0.380376 Si\n0.098343 0.706215 0.757000 O\n0.432176 0.681281 0.130740 O\n0.932176 0.318718 0.869260 O\n0.598344 0.757000 0.706215 O\n0.098343 0.243000 0.293784 O\n0.598344 0.293784 0.243000 O\n0.495263 0.106406 0.347038 O\n0.820493 0.537179 0.018726 O\n0.995263 0.893593 0.652962 O\n0.495263 0.652962 0.893593 O\n0.995263 0.347038 0.106406 O\n0.941568 0.662068 0.525914 O\n0.441568 0.337931 0.474086 O\n0.941568 0.474086 0.337932 O\n0.320493 0.018726 0.537179 O\n0.441568 0.525914 0.662068 O\n0.562795 0.303557 0.696443 O\n0.432176 0.869260 0.318718 O\n0.932176 0.130740 0.681282 O\n0.062942 0.353739 0.646261 O\n0.562942 0.646261 0.353739 O\n0.320493 0.462821 0.981274 O\n0.062795 0.696442 0.303557 O\n0.820493 0.981273 0.462821 O\n",
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"structure_string": "Pb6 I4 Cl8 O12\n1.0\n7.695913 3.715018 -0.044238\n-7.695913 3.715018 0.044238\n-5.541388 0.000000 10.586575\nPb I Cl O\n6 4 8 12\ndirect\n0.822440 0.822439 0.750001 Pb\n0.177564 0.177563 0.250000 Pb\n0.947550 0.341441 0.827865 Pb\n0.341441 0.947551 0.672134 Pb\n0.052449 0.658559 0.172136 Pb\n0.658558 0.052450 0.327865 Pb\n0.341930 0.234414 0.971278 I\n0.234414 0.341930 0.528723 I\n0.658071 0.765585 0.028722 I\n0.765586 0.658071 0.471277 I\n0.840153 0.254007 0.102058 Cl\n0.254006 0.840154 0.397942 Cl\n0.159847 0.745994 0.897942 Cl\n0.745994 0.159847 0.602056 Cl\n0.670247 0.426556 0.271265 Cl\n0.573445 0.329752 0.771265 Cl\n0.329752 0.573445 0.728736 Cl\n0.426556 0.670248 0.228735 Cl\n0.282226 0.365175 0.022580 O\n0.080184 0.090600 0.879092 O\n0.090600 0.080184 0.620907 O\n0.919816 0.909400 0.120907 O\n0.909399 0.919817 0.379093 O\n0.661173 0.961407 0.881525 O\n0.961405 0.661175 0.618474 O\n0.338825 0.038595 0.118474 O\n0.038594 0.338826 0.381525 O\n0.717774 0.634827 0.977420 O\n0.634827 0.717776 0.522580 O\n0.365174 0.282227 0.477420 O\n",
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"structure_string": "Er4 Te10 O26\n1.0\n6.912572 -0.019428 0.010383\n2.247174 8.314130 0.009521\n0.539385 0.014602 10.508749\nEr Te O\n4 10 26\ndirect\n0.553561 0.531001 0.180379 Er\n0.998915 0.736121 0.238310 Er\n0.446439 0.468999 0.819621 Er\n0.001085 0.263878 0.761689 Er\n0.127407 0.346487 0.105778 Te\n0.290786 0.882182 0.970498 Te\n0.434726 0.909370 0.304609 Te\n0.727281 0.605472 0.521075 Te\n0.841901 0.196784 0.366525 Te\n0.565274 0.090630 0.695391 Te\n0.709214 0.117817 0.029502 Te\n0.272719 0.394527 0.478925 Te\n0.158099 0.803216 0.633475 Te\n0.872593 0.653513 0.894222 Te\n0.761758 0.502779 0.813526 O\n0.468561 0.673505 -0.001532 O\n0.538552 0.810626 0.487473 O\n0.942699 0.179633 0.964031 O\n0.345875 0.991664 0.123841 O\n0.936181 0.981595 0.312368 O\n0.063819 0.018405 0.687632 O\n0.687846 0.262008 0.710697 O\n0.531438 0.326495 0.001532 O\n0.670081 0.777867 0.223206 O\n0.238242 0.497220 0.186474 O\n0.668216 0.259997 0.229122 O\n0.312155 0.737992 0.289302 O\n0.932490 0.732879 0.718057 O\n0.339731 0.511763 0.615118 O\n0.329919 0.222133 0.776794 O\n0.067511 0.267121 0.281943 O\n0.461448 0.189373 0.512527 O\n0.331784 0.740003 0.770878 O\n0.876747 0.511688 0.106837 O\n0.057301 0.820367 0.035969 O\n0.654125 0.008335 0.876159 O\n0.042039 0.350166 0.563759 O\n0.660270 0.488237 0.384882 O\n0.123253 0.488312 0.893163 O\n0.957962 0.649833 0.436240 O\n",
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"structure_string": "Mo8 Ru4 Se16\n1.0\n6.697261 -0.023335 -0.014546\n-0.828577 9.224842 0.001738\n-0.123769 -0.016795 9.789582\nMo Ru Se\n8 4 16\ndirect\n0.766530 0.519566 0.067065 Mo\n0.766526 0.021394 0.566548 Mo\n0.583155 0.108109 0.346498 Mo\n0.540898 0.325316 0.912931 Mo\n0.459101 0.674685 0.087069 Mo\n0.416844 0.891892 0.653502 Mo\n0.233473 0.978607 0.433451 Mo\n0.233470 0.480435 0.932934 Mo\n0.451331 0.180881 0.591260 Ru\n0.411087 0.391302 0.162541 Ru\n0.588913 0.608699 0.837458 Ru\n0.548669 0.819120 0.408740 Ru\n0.279711 0.748778 0.869917 Se\n0.209310 0.215237 0.008594 Se\n0.261832 0.252590 0.381411 Se\n0.218337 0.711743 0.495040 Se\n0.367327 0.431306 0.695142 Se\n0.373585 0.921545 0.199309 Se\n0.626414 0.078456 0.800690 Se\n0.869146 0.447832 0.818901 Se\n0.790689 0.784763 0.991404 Se\n0.781662 0.288258 0.504959 Se\n0.738168 0.747411 0.618588 Se\n0.720288 0.251222 0.130082 Se\n0.130854 0.552168 0.181098 Se\n0.868480 0.946447 0.318696 Se\n0.632672 0.568694 0.304858 Se\n0.131520 0.053554 0.681304 Se\n",
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"formula_full": "Sr2 Al24 O38",
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{
"id": "jvasp-5257",
"created_at": "2022-09-04T14:37:39.983340Z",
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"structure_string": "Ga2 Se2 Br14\n1.0\n0.000000 6.553683 -0.139394\n6.507554 0.000000 0.000000\n0.000000 -3.187617 -14.112550\nGa Se Br\n2 2 14\ndirect\n0.333988 -0.004972 0.499093 Ga\n0.333988 0.004972 0.999093 Ga\n0.052081 0.581140 0.337534 Se\n0.052081 0.418859 0.837534 Se\n0.778305 0.628602 0.870560 Br\n0.778306 0.371398 0.370560 Br\n0.366667 0.353435 0.512125 Br\n0.366667 0.646565 0.012125 Br\n0.559614 0.840182 0.628444 Br\n0.559614 0.159817 0.128444 Br\n0.423529 0.125100 0.857239 Br\n0.850275 0.812126 0.226863 Br\n-0.007188 0.877531 0.498920 Br\n-0.007188 0.122469 -0.001080 Br\n0.195474 0.371928 0.232350 Br\n0.195474 0.628071 0.732350 Br\n0.423530 0.874899 0.357239 Br\n0.850275 0.187874 0.726863 Br\n",
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"chemical_system": "Br-Ga-Se",
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"formula_full": "Ga2 Se2 Br14",
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{
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"created_at": "2022-09-04T14:37:07.852747Z",
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}