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{
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{
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"structure_string": "Ca4 Fe2 Ir2 O12\n1.0\n0.000000 5.304436 0.000064\n5.498936 0.000000 0.000000\n0.000000 -5.299505 -7.577540\nCa Fe Ir O\n4 2 2 12\ndirect\n0.265262 0.060105 0.249626 Ca\n0.734740 0.560105 0.250375 Ca\n0.265262 0.439896 0.749626 Ca\n0.734740 0.939896 0.750375 Ca\n0.000000 0.500000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500001 0.500000 0.500000 Ir\n0.500001 0.000000 0.000000 Ir\n0.760447 0.208069 0.950982 O\n0.654943 0.694763 0.952775 O\n0.239556 0.708069 0.549018 O\n0.851789 0.975822 0.256917 O\n0.148214 0.024179 0.743084 O\n0.239555 0.791932 0.049018 O\n0.345060 0.305238 0.047226 O\n0.654942 0.805238 0.452775 O\n0.345060 0.194763 0.547226 O\n0.851789 0.524179 0.756917 O\n0.760446 0.291931 0.450982 O\n0.148213 0.475822 0.243084 O\n",
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{
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"updated_at": "2022-09-04T14:36:58.488155Z",
"structure_string": "Na2 Al2 H4 C2 O10\n1.0\n-3.372025 5.196913 2.811792\n3.372025 -5.196913 2.811792\n3.372025 5.196913 -2.811792\nNa Al H C O\n2 2 4 2 10\ndirect\n0.000033 0.990883 0.490916 Na\n-0.000033 0.490884 -0.009149 Na\n0.500000 0.491013 0.991013 Al\n-0.000000 0.991013 0.991013 Al\n0.279512 0.936344 0.715856 H\n0.720488 0.436345 0.656832 H\n0.720518 0.045706 0.266225 H\n0.279481 0.545705 0.325186 H\n0.500436 0.241004 0.241440 C\n0.499563 0.741003 0.740567 C\n0.775228 0.557735 0.832964 O\n0.622494 0.241022 0.363515 O\n0.377506 0.741021 0.618527 O\n0.764408 0.942524 0.803882 O\n0.235591 0.039474 0.178116 O\n0.638641 0.442525 0.178116 O\n0.361358 0.539474 0.803882 O\n0.224764 0.424290 0.149054 O\n0.775235 0.924290 0.199527 O\n0.224771 0.057736 0.782507 O\n",
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{
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"created_at": "2022-09-04T14:38:48.865660Z",
"updated_at": "2022-09-04T14:38:48.865688Z",
"structure_string": "Fe2 P4 O14\n1.0\n6.156157 0.011293 -0.191608\n0.498075 5.562920 -2.414469\n-0.065364 0.192278 6.884040\nFe P O\n2 4 14\ndirect\n0.647213 0.100645 0.213783 Fe\n0.352788 0.899355 0.786217 Fe\n0.384033 0.337869 0.649825 P\n0.615968 0.662130 0.350174 P\n0.136514 0.243009 0.243527 P\n0.863487 0.756990 0.756471 P\n0.661595 0.937527 0.863765 O\n0.946067 0.082038 0.221360 O\n0.590760 0.237511 0.520361 O\n0.813701 0.677296 0.508121 O\n0.386861 0.600605 0.798817 O\n0.338405 0.062473 0.136234 O\n0.053934 0.917962 0.778639 O\n0.186299 0.322703 0.491878 O\n0.664087 0.792352 0.207207 O\n0.093544 0.447110 0.177739 O\n0.906457 0.552891 0.822261 O\n0.613139 0.399396 0.201182 O\n0.335914 0.207648 0.792793 O\n0.409241 0.762489 0.479638 O\n",
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{
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"structure_string": "Sr2 Pr2 Fe2 Ru2 O12\n1.0\n5.608173 0.000000 0.000000\n-0.000000 4.537703 3.205044\n0.000000 0.016191 9.610183\nSr Pr Fe Ru O\n2 2 2 2 12\ndirect\n0.719010 0.755246 0.749108 Sr\n0.280990 0.755246 0.249108 Sr\n0.199011 0.240046 0.748980 Pr\n0.800989 0.240046 0.248980 Pr\n0.258622 0.499995 0.999083 Fe\n0.741377 0.499995 0.499083 Fe\n0.255329 0.999530 0.499992 Ru\n0.744670 0.999530 -0.000008 Ru\n0.967524 0.755003 0.965250 O\n0.457485 0.250987 0.542518 O\n0.974496 0.182445 0.536760 O\n0.455275 0.839430 0.958294 O\n0.542514 0.250988 0.042518 O\n0.765306 0.311930 0.749728 O\n0.740122 0.665382 0.250284 O\n0.234694 0.311930 0.249728 O\n0.025503 0.182445 0.036760 O\n0.259877 0.665382 0.750283 O\n0.032475 0.755003 0.465251 O\n0.544725 0.839430 0.458295 O\n",
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{
"id": "jvasp-122043",
"created_at": "2022-09-04T14:38:54.987930Z",
"updated_at": "2022-09-04T14:38:54.987961Z",
"structure_string": "Bi8 O12\n1.0\n7.722295 0.000000 0.000000\n-3.861147 6.687704 0.000000\n-0.000000 -0.000000 5.983759\nBi O\n8 12\ndirect\n0.176251 0.352502 0.226432 Bi\n0.176251 0.823748 0.226432 Bi\n0.647496 0.823748 0.226432 Bi\n0.823747 0.647497 0.726432 Bi\n0.823748 0.176252 0.726432 Bi\n0.352502 0.176252 0.726432 Bi\n0.666666 0.333333 0.228588 Bi\n0.333333 0.666666 0.728588 Bi\n0.129133 0.258267 0.837448 O\n0.258267 0.129133 0.337447 O\n0.870866 0.129133 0.337447 O\n0.870866 0.741732 0.337447 O\n0.537266 0.074533 0.006267 O\n0.074533 0.537266 0.506267 O\n0.537266 0.462733 0.006267 O\n0.462733 0.925466 0.506267 O\n0.129133 0.870866 0.837448 O\n0.462733 0.537266 0.506267 O\n0.925466 0.462733 0.006267 O\n0.741732 0.870866 0.837448 O\n",
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{
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"structure_string": "Bi4 C4 O12\n1.0\n5.099046 0.022111 0.007441\n-0.027258 6.382827 -2.024655\n-0.007450 -1.181940 8.736648\nBi C O\n4 4 12\ndirect\n0.749971 0.742146 0.164399 Bi\n0.249973 0.742169 0.664412 Bi\n0.750027 0.257831 0.335589 Bi\n0.250029 0.257854 0.835602 Bi\n0.749997 0.753034 0.834021 C\n0.249994 0.752989 0.334011 C\n0.750006 0.247012 0.665990 C\n0.250004 0.246967 0.165980 C\n0.250000 0.248451 0.313402 O\n0.749997 0.248513 0.813417 O\n0.529929 0.248282 0.592884 O\n0.970087 0.248270 0.592880 O\n0.029913 0.751731 0.407121 O\n0.970077 0.751752 0.907123 O\n0.250003 0.751488 0.186584 O\n0.750001 0.751549 0.686599 O\n0.029924 0.248248 0.092878 O\n0.529915 0.751764 0.907130 O\n0.470071 0.751718 0.407116 O\n0.470085 0.248236 0.092871 O\n",
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{
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"created_at": "2022-09-04T14:38:51.943560Z",
"updated_at": "2022-09-04T14:38:51.943586Z",
"structure_string": "Te12 Rh2 Br6\n1.0\n8.736720 0.089053 -2.855844\n-3.962490 7.786969 -2.855844\n0.053981 0.089053 9.191475\nTe Rh Br\n12 2 6\ndirect\n0.922519 0.169786 0.192802 Te\n0.330213 0.577481 0.307198 Te\n0.577481 0.307198 0.330213 Te\n0.830213 0.807198 0.077482 Te\n0.807198 0.077480 0.830213 Te\n0.077481 0.830213 0.807198 Te\n0.307198 0.330213 0.577481 Te\n0.422519 0.692802 0.669787 Te\n0.692802 0.669787 0.422519 Te\n0.169787 0.192801 0.922518 Te\n0.192802 0.922519 0.169787 Te\n0.669787 0.422518 0.692802 Te\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n0.478384 0.750000 0.021617 Br\n0.978384 0.521616 0.250000 Br\n0.250000 0.978384 0.521616 Br\n0.521616 0.249999 0.978384 Br\n0.750000 0.021616 0.478384 Br\n0.021616 0.478384 0.750000 Br\n",
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"structure_string": "K4 Ba1 U3 O12\n1.0\n7.155993 0.051550 -2.456620\n-3.455254 6.266746 -2.456620\n0.030194 0.051550 7.565865\nK Ba U O\n4 1 3 12\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.500000 0.000000 K\n0.500000 0.000000 -0.000000 K\n-0.000000 0.000000 0.500000 K\n0.500000 0.500000 0.500000 Ba\n0.500000 0.500000 0.000000 U\n0.000000 0.500000 0.500000 U\n0.500000 0.000000 0.500000 U\n0.297740 0.297740 0.030760 O\n0.702260 0.969241 0.702260 O\n0.969240 0.702260 0.702260 O\n0.702260 0.702260 0.969240 O\n0.249307 0.500000 0.750692 O\n0.500000 0.249308 0.750692 O\n0.500000 0.750693 0.249308 O\n0.750693 0.500000 0.249307 O\n0.030760 0.297740 0.297740 O\n0.249308 0.750693 0.500000 O\n0.750692 0.249308 0.500000 O\n0.297740 0.030760 0.297740 O\n",
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"structure_string": "Pb2 Cl4 O14\n1.0\n5.903610 0.206619 3.916827\n1.185757 5.786992 3.916827\n0.092027 0.077803 8.587875\nPb Cl O\n2 4 14\ndirect\n0.377995 0.622005 0.250000 Pb\n0.622006 0.377994 0.750000 Pb\n0.805807 0.800133 0.179942 Cl\n0.800134 0.805806 0.679942 Cl\n0.194194 0.199866 0.820058 Cl\n0.199867 0.194193 0.320058 Cl\n0.422729 0.288155 0.151721 O\n0.288156 0.422728 0.651721 O\n0.577272 0.711844 0.848279 O\n0.711845 0.577271 0.348279 O\n0.275333 0.931792 0.404323 O\n0.931793 0.275332 0.904323 O\n0.121847 0.268233 0.485634 O\n0.068208 0.724667 0.095677 O\n0.726817 0.273183 0.250000 O\n0.268234 0.121846 0.985634 O\n0.878154 0.731766 0.514366 O\n0.731767 0.878153 0.014366 O\n0.724668 0.068207 0.595677 O\n0.273184 0.726816 0.750000 O\n",
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"updated_at": "2022-09-04T14:38:53.614491Z",
"structure_string": "Nb6 V2 Se12\n1.0\n6.052849 -0.000000 0.000000\n-3.026424 5.241921 0.000000\n-0.000000 -0.000000 12.685490\nNb V Se\n6 2 12\ndirect\n0.000000 0.000000 0.500000 Nb\n0.000000 0.000000 0.000000 Nb\n0.333334 0.666667 0.999237 Nb\n0.666667 0.333333 0.000763 Nb\n0.666667 0.333333 0.499237 Nb\n0.333334 0.666667 0.500763 Nb\n0.333334 0.666667 0.250000 V\n0.666667 0.333333 0.750000 V\n0.668989 0.666916 0.133762 Se\n0.002072 0.333083 0.866238 Se\n0.331012 0.997928 0.866238 Se\n0.666917 0.668988 0.866238 Se\n0.666917 0.997928 0.633762 Se\n0.668989 0.002072 0.366238 Se\n0.331012 0.333083 0.633762 Se\n0.997929 0.666916 0.366238 Se\n0.997929 0.331011 0.133762 Se\n0.333084 0.331011 0.366238 Se\n0.002072 0.668988 0.633762 Se\n0.333084 0.002072 0.133762 Se\n",
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"structure_string": "Sr6 W2 O12\n1.0\n6.868896 -0.014724 -0.207297\n-0.213204 6.865603 -0.207297\n-0.014304 -0.014724 6.872009\nSr W O\n6 2 12\ndirect\n0.064705 0.253756 0.563629 Sr\n0.436372 0.935295 0.746244 Sr\n0.746245 0.436372 0.935295 Sr\n0.253756 0.563629 0.064705 Sr\n0.563629 0.064705 0.253756 Sr\n0.935296 0.746245 0.436371 Sr\n0.500001 0.500000 0.500000 W\n0.000000 0.000000 0.000000 W\n0.546657 0.426270 0.228943 O\n0.270698 0.941724 0.068376 O\n0.771058 0.453344 0.573730 O\n0.573732 0.771057 0.453343 O\n0.426270 0.228944 0.546656 O\n0.058277 0.931623 0.729302 O\n0.729303 0.058277 0.931623 O\n0.453345 0.573731 0.771056 O\n0.941724 0.068378 0.270697 O\n0.068378 0.270698 0.941724 O\n0.228944 0.546657 0.426269 O\n0.931624 0.729303 0.058276 O\n",
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"spacegroup": 148
}
]
}