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{
"id": "jvasp-113649",
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"structure_string": "Al1 H2 O2\n1.0\n2.911883 0.000000 -0.000000\n-1.455942 2.521765 0.000000\n-0.000000 -0.000000 5.721107\nAl H O\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.666665 0.333333 0.357368 H\n0.333332 0.666666 0.642632 H\n0.333332 0.666666 0.835522 O\n0.666665 0.333333 0.164479 O\n",
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{
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{
"id": "jvasp-29840",
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"updated_at": "2022-09-04T14:38:01.028631Z",
"structure_string": "Al2 H6 O6\n1.0\n5.119133 0.120781 -0.010103\n-2.454968 4.252128 0.020206\n-0.008994 0.015579 4.674549\nAl H O\n2 6 6\ndirect\n0.325978 0.683803 0.001824 Al\n0.674021 0.357825 0.001824 Al\n0.779998 0.967601 0.722148 H\n0.220003 0.187602 0.722147 H\n0.000000 0.603593 0.580594 H\n0.446988 0.019171 0.415886 H\n0.553012 0.572184 0.415887 H\n0.000000 0.179002 0.246834 H\n0.618187 0.012941 0.766037 O\n0.381814 0.394755 0.766037 O\n0.000001 0.671989 0.778928 O\n0.370699 0.023644 0.221592 O\n0.629301 0.652945 0.221592 O\n0.000000 0.377681 0.217949 O\n",
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{
"id": "jvasp-54695",
"created_at": "2022-09-04T14:37:54.987906Z",
"updated_at": "2022-09-04T14:37:54.987940Z",
"structure_string": "Al4 H4 O8\n1.0\n2.874277 -0.000000 0.000000\n0.000000 4.920564 0.000000\n0.000000 0.000000 8.470826\nAl H O\n4 4 8\ndirect\n0.250000 0.387499 0.647164 Al\n0.250000 0.112500 0.147164 Al\n0.750001 0.612500 0.352837 Al\n0.750001 0.887499 0.852837 Al\n0.750001 0.366669 0.923083 H\n0.750001 0.133331 0.423082 H\n0.250000 0.633330 0.076918 H\n0.250000 0.866669 0.576918 H\n0.750001 0.209471 0.000826 O\n0.750001 0.290529 0.500826 O\n0.250000 0.790528 0.999175 O\n0.250000 0.709470 0.499174 O\n0.750001 0.958543 0.260656 O\n0.750001 0.541455 0.760656 O\n0.250000 0.041456 0.739345 O\n0.250000 0.458544 0.239345 O\n",
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{
"id": "jvasp-30387",
"created_at": "2022-09-04T14:37:56.204651Z",
"updated_at": "2022-09-04T14:37:56.204676Z",
"structure_string": "Al4 H12 O12\n1.0\n5.046184 0.000000 0.653385\n0.000000 8.706653 0.000000\n0.588161 0.000000 4.752855\nAl H O\n4 12 12\ndirect\n0.045451 0.333994 0.970986 Al\n0.454548 0.833994 0.029015 Al\n0.545451 0.166006 0.970985 Al\n0.954547 0.666006 0.029014 Al\n0.771638 0.181060 0.388796 H\n0.875225 0.958500 0.785919 H\n0.726924 0.883434 0.394675 H\n0.624773 0.458501 0.214080 H\n0.728360 0.681060 0.611204 H\n0.773075 0.383434 0.605325 H\n0.375226 0.541499 0.785920 H\n0.273075 0.116566 0.605326 H\n0.226924 0.616565 0.394675 H\n0.124774 0.041499 0.214081 H\n0.228361 0.818939 0.611204 H\n0.271639 0.318939 0.388797 H\n0.697989 0.802575 0.261779 O\n0.802010 0.302575 0.738221 O\n0.677048 0.669349 0.821746 O\n0.688016 0.981535 0.773784 O\n0.311983 0.018465 0.226216 O\n0.302010 0.197425 0.738222 O\n0.197989 0.697424 0.261779 O\n0.177048 0.830650 0.821747 O\n0.188017 0.518465 0.773784 O\n0.822951 0.169349 0.178253 O\n0.322951 0.330650 0.178254 O\n0.811982 0.481535 0.226216 O\n",
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{
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"created_at": "2022-09-04T14:38:03.802576Z",
"updated_at": "2022-09-04T14:38:03.802594Z",
"structure_string": "Al4 H12 O12\n1.0\n-4.270157 2.306343 4.734391\n4.443693 -2.397212 5.434028\n4.213273 2.493427 -6.444171\nAl H O\n4 12 12\ndirect\n0.453484 0.836496 0.288921 Al\n0.508805 0.165795 0.681056 Al\n0.972206 0.671530 0.638915 Al\n0.990085 0.330752 0.331059 Al\n0.791297 0.599363 0.812110 H\n0.170986 0.402926 0.157855 H\n0.658206 0.909663 0.151817 H\n0.616024 0.830747 0.674302 H\n0.346204 0.171515 0.295633 H\n0.304104 0.092613 0.818159 H\n0.153660 0.715742 0.459939 H\n0.380158 0.466408 0.060222 H\n0.582132 0.535885 0.909766 H\n0.911464 0.945172 0.111534 H\n0.050826 0.057124 0.858439 H\n0.808570 0.286543 0.509982 H\n0.507942 0.190216 0.915555 O\n0.454351 0.812073 0.054420 O\n0.434272 0.868453 0.524027 O\n0.528010 0.133849 0.445951 O\n0.938074 0.389727 0.540407 O\n0.501060 0.439137 0.727219 O\n0.461221 0.563154 0.242763 O\n0.002992 0.059090 0.294726 O\n0.959293 0.943197 0.675248 O\n0.010713 0.284309 0.088475 O\n0.024199 0.612559 0.429549 O\n0.951580 0.717975 0.881501 O\n",
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{
"id": "jvasp-29401",
"created_at": "2022-09-04T14:37:58.244342Z",
"updated_at": "2022-09-04T14:37:58.244359Z",
"structure_string": "Al2 H6 O6\n1.0\n4.949894 -0.014454 -0.751816\n-2.790081 3.976574 -1.541081\n0.127782 -0.208857 5.355357\nAl H O\n2 6 6\ndirect\n0.169234 0.335488 0.002736 Al\n0.830765 0.664511 0.997264 Al\n0.562252 0.876166 0.792359 H\n0.090849 0.665239 0.426147 H\n0.437747 0.123833 0.207640 H\n0.909150 0.334760 0.573852 H\n0.670830 0.792460 0.425732 H\n0.329169 0.207539 0.574267 H\n0.240064 0.120023 0.212209 O\n0.037613 0.503283 0.776359 O\n0.962386 0.496716 0.223641 O\n0.400389 0.239768 0.770723 O\n0.759935 0.879976 0.787791 O\n0.599610 0.760232 0.229277 O\n",
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{
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"created_at": "2022-09-04T14:37:59.827069Z",
"updated_at": "2022-09-04T14:37:59.827093Z",
"structure_string": "Al4 H12 O12\n1.0\n5.083121 0.000000 0.000000\n0.000000 5.135268 0.000000\n0.000000 0.000000 7.267490\nAl H O\n4 12 12\ndirect\n0.247884 -0.000207 0.499558 Al\n0.252116 0.000207 0.999558 Al\n0.747884 0.500207 0.500442 Al\n0.752116 0.499793 0.000442 Al\n0.965335 0.705541 0.747101 H\n0.918739 0.832687 0.202816 H\n0.715123 0.039654 0.979109 H\n0.581261 0.167314 0.702816 H\n0.534665 0.294460 0.247101 H\n0.784877 0.960347 0.479109 H\n0.418739 0.667314 0.797184 H\n0.284877 0.539654 0.520891 H\n0.215123 0.460346 0.020891 H\n0.081261 0.332687 0.297184 H\n0.034665 0.205540 0.752899 H\n0.465335 0.794460 0.252899 H\n0.868297 0.538473 0.749960 O\n0.631702 0.461528 0.249960 O\n0.585483 0.177404 0.941091 O\n0.572781 0.180938 0.565010 O\n0.427219 0.680938 0.934990 O\n0.131702 0.038472 0.750040 O\n0.368298 0.961528 0.250040 O\n0.085483 0.322596 0.058909 O\n0.072781 0.319062 0.434990 O\n0.914517 0.822596 0.441091 O\n0.414517 0.677405 0.558910 O\n0.927218 0.819062 0.065010 O\n",
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{
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"created_at": "2022-09-04T14:38:02.356934Z",
"updated_at": "2022-09-04T14:38:02.356961Z",
"structure_string": "Al2 H2 O4\n1.0\n1.446339 6.032286 0.000000\n-1.446339 6.032286 0.000000\n0.000000 0.000000 3.729102\nAl H O\n2 2 4\ndirect\n0.680501 0.680501 0.248080 Al\n0.319500 0.319500 0.748080 Al\n0.019233 0.019233 0.439298 H\n0.980767 0.980767 0.939298 H\n0.290819 0.290819 0.248748 O\n0.709182 0.709182 0.748748 O\n0.077666 0.077666 0.245527 O\n0.922335 0.922335 0.745526 O\n",
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},
{
"id": "jvasp-29414",
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"updated_at": "2022-09-04T14:37:56.689158Z",
"structure_string": "Al4 H12 O12\n1.0\n4.975421 -0.133538 0.616251\n0.625833 5.209154 0.822584\n-0.363454 0.021729 7.907272\nAl H O\n4 12 12\ndirect\n0.026087 0.653493 0.330364 Al\n0.524870 0.827349 0.162930 Al\n0.973913 0.346506 0.669635 Al\n0.475130 0.172650 0.837069 Al\n0.791832 0.426806 0.135914 H\n0.569987 0.256950 0.528149 H\n0.787772 0.111555 0.300583 H\n0.784432 0.828709 0.588772 H\n0.430013 0.743049 0.471850 H\n0.208168 0.573192 0.864085 H\n0.212228 0.888444 0.699416 H\n0.215568 0.171290 0.411227 H\n0.132688 0.116077 0.085936 H\n0.300265 0.453115 0.113606 H\n0.867313 0.883922 0.914064 H\n0.699735 0.546884 0.886394 H\n0.325677 0.141716 0.070572 O\n0.174550 0.031859 0.764948 O\n0.825450 0.968140 0.235051 O\n0.757395 0.362740 0.879481 O\n0.320252 0.835432 0.379717 O\n0.742731 0.515404 0.235893 O\n0.833714 0.662084 0.547213 O\n0.166286 0.337915 0.452786 O\n0.679748 0.164567 0.620282 O\n0.674323 0.858283 0.929428 O\n0.242605 0.637259 0.120518 O\n0.257270 0.484595 0.764106 O\n",
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{
"id": "jvasp-29781",
"created_at": "2022-09-04T14:38:02.080136Z",
"updated_at": "2022-09-04T14:38:02.080165Z",
"structure_string": "Al2 H2 O4\n1.0\n1.446400 6.032243 0.000000\n-1.446400 6.032243 0.000000\n0.000000 0.000000 3.728927\nAl H O\n2 2 4\ndirect\n0.680503 0.680503 0.249858 Al\n0.319497 0.319497 0.749859 Al\n0.019234 0.019234 0.441038 H\n0.980765 0.980765 0.941038 H\n0.290816 0.290816 0.250543 O\n0.709183 0.709183 0.750543 O\n0.077672 0.077672 0.247277 O\n0.922327 0.922327 0.747277 O\n",
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"formula_full": "Al2 H2 O4",
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"spacegroup": 36
},
{
"id": "jvasp-22286",
"created_at": "2022-09-04T14:37:30.645061Z",
"updated_at": "2022-09-04T14:37:30.645085Z",
"structure_string": "Ho8 Al4\n1.0\n5.049937 -0.000000 0.000000\n-0.000000 6.481394 0.000000\n0.000000 0.000000 9.383907\nHo Al\n8 4\ndirect\n0.750000 0.188190 0.072914 Ho\n0.250000 0.811810 0.927086 Ho\n0.750000 0.688190 0.427086 Ho\n0.250000 0.311810 0.572914 Ho\n0.750000 0.027454 0.710712 Ho\n0.250000 0.972545 0.289289 Ho\n0.750000 0.527454 0.789289 Ho\n0.250000 0.472546 0.210712 Ho\n0.750000 0.708419 0.102587 Al\n0.250000 0.291580 0.897414 Al\n0.750000 0.208419 0.397413 Al\n0.250000 0.791580 0.602587 Al\n",
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"elements": [
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"spacegroup": 62
}
]
}