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{
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"structure_string": "Si4 H16\n1.0\n0.000000 7.393492 0.065426\n4.740377 0.000000 0.000000\n0.000000 -1.824042 -7.267587\nSi H\n4 16\ndirect\n0.248508 0.063323 0.846100 Si\n0.751492 0.563323 0.653900 Si\n0.751492 0.936678 0.153899 Si\n0.248508 0.436677 0.346100 Si\n0.589230 0.089986 0.193884 H\n0.410769 0.589986 0.306116 H\n0.300602 0.365469 0.888371 H\n0.699399 0.865469 0.611630 H\n0.699398 0.634532 0.111629 H\n0.300601 0.134532 0.388370 H\n0.085285 0.046200 0.681317 H\n0.914715 0.953800 0.318683 H\n0.589231 0.410015 0.693884 H\n0.085285 0.453800 0.181317 H\n0.198136 0.568988 0.508162 H\n0.801864 0.068987 0.991838 H\n0.801864 0.431013 0.491838 H\n0.198136 0.931013 0.008162 H\n0.914715 0.546201 0.818683 H\n0.410770 0.910015 0.806116 H\n",
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{
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"structure_string": "Li5 V2 Fe3 O10\n1.0\n4.955512 -0.019132 0.061825\n-0.854495 4.989562 -0.014160\n-2.363742 -2.051499 6.827190\nLi V Fe O\n5 2 3 10\ndirect\n0.194393 0.493117 0.409213 Li\n0.375800 0.486599 0.784624 Li\n0.000000 -0.000000 0.500000 Li\n0.624200 0.513401 0.215375 Li\n0.805607 0.506883 0.590787 Li\n0.573946 0.995353 0.696558 V\n0.426055 0.004646 0.303441 V\n0.202478 0.999475 0.893558 Fe\n0.797523 0.000524 0.106441 Fe\n0.000000 0.500000 -0.000000 Fe\n0.404935 0.765705 0.044375 O\n0.811592 0.780805 0.857976 O\n0.595066 0.234294 0.955624 O\n0.414103 0.236062 0.549650 O\n0.008414 0.769380 0.244827 O\n0.208144 0.758227 0.656479 O\n0.791857 0.241772 0.343520 O\n0.991587 0.230619 0.755172 O\n0.585898 0.763938 0.450349 O\n0.188408 0.219194 0.142023 O\n",
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{
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"structure_string": "Li2 Fe4 F14\n1.0\n0.000000 5.225701 -0.089085\n4.972688 0.000000 0.000000\n0.000000 -1.293310 -9.170845\nLi Fe F\n2 4 14\ndirect\n0.500000 0.089007 0.750000 Li\n0.500000 0.910994 0.250000 Li\n0.060852 0.748384 0.931780 Fe\n0.060852 0.251616 0.431780 Fe\n0.939148 0.748384 0.568220 Fe\n0.939148 0.251616 0.068220 Fe\n0.773157 0.429377 0.494310 F\n0.773157 0.570623 0.994310 F\n0.649310 0.106700 0.120315 F\n0.649310 0.893301 0.620315 F\n0.350689 0.106700 0.379685 F\n0.350689 0.893301 0.879685 F\n0.125662 0.923704 0.116069 F\n0.226842 0.570623 0.505690 F\n0.874338 0.076296 0.883931 F\n0.125662 0.076296 0.616070 F\n0.000000 0.419533 0.250000 F\n0.000000 0.580468 0.750000 F\n0.226842 0.429377 0.005690 F\n0.874338 0.923704 0.383930 F\n",
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{
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"created_at": "2022-09-04T14:38:15.418457Z",
"updated_at": "2022-09-04T14:38:15.418481Z",
"structure_string": "Ti4 Fe4 O12\n1.0\n5.154850 0.000000 0.000000\n0.000000 5.242775 0.000000\n0.000000 0.000000 7.493425\nTi Fe O\n4 4 12\ndirect\n0.500000 0.000000 0.000000 Ti\n0.000000 0.500000 0.000000 Ti\n0.000000 0.500000 0.500000 Ti\n0.500000 0.000000 0.500000 Ti\n0.991560 0.955743 0.750000 Fe\n0.491560 0.544255 0.250000 Fe\n0.508440 0.455744 0.750000 Fe\n0.008440 0.044256 0.250000 Fe\n0.169206 0.175971 0.936784 O\n0.669206 0.324029 0.063215 O\n0.330794 0.675970 0.563215 O\n0.381963 0.928462 0.250000 O\n0.618037 0.071537 0.750000 O\n0.169206 0.175971 0.563215 O\n0.330794 0.675970 0.936784 O\n0.830794 0.824028 0.063215 O\n0.881963 0.571536 0.750000 O\n0.830794 0.824028 0.436785 O\n0.118037 0.428463 0.250000 O\n0.669206 0.324029 0.436785 O\n",
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{
"id": "jvasp-24765",
"created_at": "2022-09-04T14:38:04.427917Z",
"updated_at": "2022-09-04T14:38:04.427948Z",
"structure_string": "Na6 Er2 Cl12\n1.0\n0.000000 6.729676 -0.017067\n7.240021 0.000000 0.000000\n0.000000 -6.572679 -10.033679\nNa Er Cl\n6 2 12\ndirect\n0.500000 0.000000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.710430 0.913272 0.243139 Na\n0.289571 0.413272 0.256861 Na\n0.289571 0.086728 0.756862 Na\n0.710430 0.586728 0.743139 Na\n0.000000 0.000000 0.000000 Er\n-0.000000 0.500000 0.500000 Er\n0.245398 0.806492 0.578280 Cl\n0.754603 0.306492 0.921721 Cl\n0.385196 0.320872 0.568114 Cl\n0.614804 0.820872 0.931886 Cl\n0.614804 0.679128 0.431886 Cl\n0.905054 0.561055 0.259573 Cl\n0.094946 0.438945 0.740427 Cl\n0.905054 0.938945 0.759573 Cl\n0.245398 0.693508 0.078280 Cl\n0.094946 0.061055 0.240427 Cl\n0.385196 0.179128 0.068114 Cl\n0.754603 0.193508 0.421721 Cl\n",
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{
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"structure_string": "Tb4 B16\n1.0\n8.509885 0.000000 0.000000\n0.000000 8.509885 0.000000\n0.000000 -0.000000 4.190566\nTb B\n4 16\ndirect\n0.139270 0.639270 0.000000 Tb\n0.639270 0.860729 0.000000 Tb\n0.360730 0.139270 0.000000 Tb\n0.860729 0.360730 0.000000 Tb\n0.127670 0.943755 0.000000 B\n0.056244 0.127670 0.000000 B\n0.435831 0.935831 0.500000 B\n0.935831 0.564168 0.500000 B\n0.064169 0.435831 0.500000 B\n0.564168 0.064169 0.500000 B\n0.500000 0.500000 0.307864 B\n0.500000 0.500000 0.692137 B\n0.872330 0.056244 0.000000 B\n0.000000 0.000000 0.307864 B\n0.443755 0.627669 0.000000 B\n0.556244 0.372330 0.000000 B\n0.627669 0.556244 0.000000 B\n0.372330 0.443755 0.000000 B\n0.000000 0.000000 0.692137 B\n0.943755 0.872330 0.000000 B\n",
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{
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"created_at": "2022-09-04T14:38:08.730139Z",
"updated_at": "2022-09-04T14:38:08.730167Z",
"structure_string": "Na2 Ca2 Ta2 Ti2 O12\n1.0\n0.000000 5.431481 -0.001247\n5.535907 0.000000 0.000000\n0.000000 -5.420338 -7.741592\nNa Ca Ta Ti O\n2 2 2 2 12\ndirect\n0.752750 0.275682 0.749849 Na\n0.752750 0.724319 0.249849 Na\n0.237537 0.799179 0.749294 Ca\n0.237537 0.200822 0.249294 Ca\n0.493222 0.258384 -0.001045 Ta\n0.493222 0.741616 0.498954 Ta\n0.993328 0.254090 0.501452 Ti\n0.993328 0.745911 0.001453 Ti\n0.842871 0.457843 0.043027 O\n0.176949 0.962894 0.462803 O\n0.755665 0.964015 0.037831 O\n0.322764 0.231073 0.748340 O\n0.670698 0.268777 0.251601 O\n0.755664 0.035986 0.537831 O\n0.842870 0.542158 0.543027 O\n0.176949 0.037106 0.962803 O\n0.254218 0.451625 0.456848 O\n0.322764 0.768928 0.248340 O\n0.254218 0.548375 0.956848 O\n0.670697 0.731223 0.751601 O\n",
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"structure_string": "K2 Yb2 C4 O12\n1.0\n6.277678 -0.178528 -1.437436\n-1.230122 6.158565 -1.437436\n0.064673 0.076621 6.841780\nYb K C O\n2 2 4 12\ndirect\n0.592562 0.407438 0.249999 Yb\n0.407438 0.592561 0.749999 Yb\n0.130465 0.869535 0.249999 K\n0.869535 0.130464 0.749999 K\n0.139950 0.391195 0.244498 C\n0.391195 0.139949 0.744498 C\n0.860050 0.608804 0.755501 C\n0.608805 0.860049 0.255501 C\n0.057720 0.588012 0.787961 O\n0.588013 0.057720 0.287961 O\n0.942280 0.411987 0.212038 O\n0.241224 0.197888 0.625206 O\n0.758776 0.802111 0.374792 O\n0.197888 0.241224 0.125206 O\n0.527799 0.290111 0.894847 O\n0.709889 0.472200 0.605151 O\n0.472201 0.709888 0.105151 O\n0.290111 0.527799 0.394847 O\n0.411987 0.942279 0.712038 O\n0.802112 0.758775 0.874792 O\n",
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"formula_full": "K2 Yb2 C4 O12",
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{
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"created_at": "2022-09-04T14:38:14.910273Z",
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"structure_string": "Li2 Cr2 Si4 O12\n1.0\n5.149084 0.006831 1.375723\n1.549837 6.249938 0.703486\n0.015434 -0.003337 6.477527\nLi Cr Si O\n2 2 4 12\ndirect\n0.749999 0.255293 0.744707 Li\n0.250000 0.744707 0.255294 Li\n0.750000 0.908521 0.091479 Cr\n0.249999 0.091479 0.908521 Cr\n0.763765 0.792639 0.609098 Si\n0.236234 0.207361 0.390902 Si\n0.263766 0.609098 0.792640 Si\n0.736234 0.390902 0.207361 Si\n0.051243 0.641664 0.642317 O\n0.551242 0.642316 0.641665 O\n0.147017 0.799135 0.970729 O\n0.170647 0.106099 0.631928 O\n0.852982 0.200865 0.029272 O\n0.948756 0.358335 0.357684 O\n0.352982 0.029272 0.200865 O\n0.829352 0.893900 0.368073 O\n0.670648 0.631928 0.106100 O\n0.329352 0.368072 0.893901 O\n0.448757 0.357684 0.358336 O\n0.647017 0.970728 0.799136 O\n",
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{
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"created_at": "2022-09-04T14:38:14.903235Z",
"updated_at": "2022-09-04T14:38:14.903245Z",
"structure_string": "Sr4 Ca2 Ir2 O12\n1.0\n0.000000 5.779777 -0.001003\n5.882604 0.000000 0.000000\n0.000000 -5.727903 -8.218441\nSr Ca Ir O\n4 2 2 12\ndirect\n0.240631 0.044279 0.250279 Sr\n0.759370 0.544278 0.249721 Sr\n0.240631 0.455721 0.750279 Sr\n0.759370 0.955721 0.749721 Sr\n0.500000 0.500000 0.500000 Ca\n0.500000 0.000000 -0.000000 Ca\n0.000000 0.000000 0.500000 Ir\n0.000000 0.500000 0.000000 Ir\n0.232035 0.808890 0.460427 O\n0.767965 0.308890 0.039573 O\n0.857131 0.771330 0.043775 O\n0.142870 0.271330 0.456224 O\n0.142870 0.228670 0.956224 O\n0.691552 0.521137 0.769725 O\n0.308449 0.478862 0.230275 O\n0.691552 0.978862 0.269725 O\n0.232035 0.691109 0.960427 O\n0.308449 0.021138 0.730275 O\n0.857131 0.728670 0.543775 O\n0.767966 0.191110 0.539573 O\n",
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}