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{
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{
"id": "jvasp-29483",
"created_at": "2022-09-04T14:38:15.016412Z",
"updated_at": "2022-09-04T14:38:15.016430Z",
"structure_string": "Al4 H12 O12\n1.0\n4.750592 0.613161 0.000000\n0.628651 5.049414 0.000000\n0.000000 0.000000 8.706833\nAl H O\n4 12 12\ndirect\n0.029016 0.954581 0.666005 Al\n0.970983 0.545418 0.166005 Al\n0.970983 0.045418 0.333995 Al\n0.029016 0.454582 0.833995 Al\n0.214207 0.624737 0.458535 H\n0.394635 0.726858 0.883422 H\n0.605364 0.773141 0.383422 H\n0.388724 0.271527 0.318996 H\n0.611275 0.728472 0.681004 H\n0.388724 0.771527 0.181004 H\n0.214207 0.124738 0.041465 H\n0.785793 0.375262 0.541464 H\n0.605364 0.273141 0.116577 H\n0.785793 0.875262 0.958535 H\n0.394635 0.226859 0.616577 H\n0.611275 0.228472 0.818996 H\n0.261753 0.697946 0.802576 O\n0.821800 0.177137 0.830641 O\n0.773760 0.688029 0.981544 O\n0.178199 0.322863 0.330641 O\n0.738247 0.802053 0.302576 O\n0.738247 0.302053 0.197424 O\n0.226240 0.311970 0.018455 O\n0.226240 0.811969 0.481545 O\n0.178199 0.822862 0.169359 O\n0.261753 0.197946 0.697424 O\n0.821800 0.677137 0.669359 O\n0.773760 0.188030 0.518455 O\n",
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{
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},
{
"id": "jvasp-29785",
"created_at": "2022-09-04T14:36:47.239406Z",
"updated_at": "2022-09-04T14:36:47.239431Z",
"structure_string": "Al2 H2 O4\n1.0\n1.415168 6.596592 -0.494825\n-1.552866 6.623193 -0.499383\n0.009764 -0.299196 3.698174\nAl H O\n2 2 4\ndirect\n0.691210 0.632655 0.212566 Al\n0.337960 0.299143 0.794698 Al\n0.080278 0.657613 0.334812 H\n-0.001070 0.971550 0.949096 H\n0.243637 0.380592 0.289457 O\n0.712147 0.727145 0.737673 O\n0.115166 0.072359 0.166456 O\n0.922988 0.895805 0.833588 O\n",
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},
{
"id": "jvasp-96964",
"created_at": "2022-09-04T14:36:44.340195Z",
"updated_at": "2022-09-04T14:36:44.340215Z",
"structure_string": "Al8 H24 O24\n1.0\n8.764797 0.083939 -0.149935\n0.052043 5.036616 0.099372\n-0.176024 0.251858 9.361865\nAl H O\n8 24 24\ndirect\n0.388800 0.944142 0.492067 Al\n0.715571 0.038361 0.495117 Al\n0.877611 0.506376 0.497059 Al\n0.216959 0.454352 0.495863 Al\n0.769882 0.069963 0.003626 Al\n0.119381 0.016661 0.006520 Al\n0.282206 0.505872 -0.001683 Al\n0.612596 0.569166 0.995567 Al\n0.493546 0.205325 0.106083 H\n0.410754 0.880787 0.876648 H\n0.594452 0.210912 0.793422 H\n0.369438 0.878108 0.131624 H\n0.260267 0.185734 0.785771 H\n0.747062 0.360175 0.223547 H\n0.094852 0.716829 0.802707 H\n-0.091128 0.668645 0.109885 H\n0.605421 0.872530 0.211441 H\n0.217999 0.259016 0.212999 H\n0.913160 0.864967 0.242833 H\n0.767187 0.755004 0.793686 H\n0.648601 0.619871 0.627068 H\n0.957644 0.381826 0.916416 H\n0.034737 0.360545 0.289533 H\n0.600039 0.651063 0.387623 H\n0.505327 0.306893 0.596706 H\n0.139890 0.024162 0.607513 H\n0.052362 0.444436 0.693469 H\n0.396504 0.626286 0.707413 H\n0.873352 0.169673 0.718047 H\n0.230245 0.779401 0.288874 H\n0.426754 0.345114 0.318113 H\n0.974517 0.960030 0.418042 H\n0.111777 0.702613 0.907586 O\n0.950127 0.187370 0.911760 O\n0.768204 0.373967 0.114692 O\n0.757725 0.766671 0.899002 O\n0.153559 0.302049 0.125005 O\n0.267195 0.806435 0.116311 O\n0.638305 0.273860 0.883561 O\n0.429974 0.687257 0.883380 O\n0.460587 0.393784 0.105347 O\n0.934570 0.857365 0.129855 O\n0.746044 0.707828 0.614440 O\n0.884080 0.854542 0.393227 O\n0.231844 0.775345 0.395025 O\n0.867336 0.187661 0.613247 O\n0.389727 0.610635 0.601280 O\n0.720650 0.359551 0.391403 O\n0.235472 0.122802 0.608433 O\n0.540350 0.117940 0.605248 O\n0.564297 0.844080 0.385234 O\n0.037765 0.354005 0.394415 O\n0.063253 0.587909 0.620683 O\n0.263376 0.199079 0.892117 O\n0.347702 0.261897 0.376009 O\n0.611392 0.885729 0.104504 O\n",
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{
"id": "jvasp-52849",
"created_at": "2022-09-04T14:36:57.688242Z",
"updated_at": "2022-09-04T14:36:57.688267Z",
"structure_string": "Al10 H2 O16\n1.0\n2.871254 -4.973159 -0.000000\n2.871254 4.973159 -0.000000\n-0.000000 0.000000 8.729250\nAl H O\n10 2 16\ndirect\n0.826506 0.653013 0.121982 Al\n0.666666 0.333332 0.452890 Al\n0.666666 0.333332 0.826768 Al\n0.333332 0.666666 0.326768 Al\n0.653013 0.826506 0.621982 Al\n0.333332 0.666666 0.952890 Al\n0.173492 0.346985 0.621982 Al\n0.346985 0.173492 0.121982 Al\n0.826507 0.173492 0.121982 Al\n0.173492 0.826507 0.621982 Al\n0.000000 0.000000 0.138427 H\n0.000000 0.000000 0.638427 H\n0.170253 0.340507 0.220481 O\n0.340507 0.170253 0.720481 O\n0.829746 0.170253 0.720481 O\n0.829745 0.659491 0.720481 O\n0.659491 0.829745 0.220481 O\n0.170253 0.829746 0.220481 O\n0.966756 0.483378 0.986930 O\n0.000000 0.000000 0.021395 O\n0.516621 0.033242 0.986930 O\n0.033242 0.516621 0.486930 O\n0.483378 0.516620 0.486930 O\n0.483378 0.966756 0.486930 O\n0.666666 0.333332 0.239041 O\n0.000000 0.000000 0.521395 O\n0.516620 0.483378 0.986930 O\n0.333332 0.666666 0.739041 O\n",
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{
"id": "jvasp-29793",
"created_at": "2022-09-04T14:37:12.042571Z",
"updated_at": "2022-09-04T14:37:12.042596Z",
"structure_string": "Al2 H6 O6\n1.0\n4.755389 0.079707 1.186641\n2.084778 4.343468 2.021993\n-0.294683 0.463509 5.243466\nAl H O\n2 6 6\ndirect\n0.657721 0.679140 0.000942 Al\n0.342279 0.320862 -0.000943 Al\n0.617678 0.176335 0.579422 H\n0.382323 0.823666 0.420578 H\n-0.053651 0.379125 0.689676 H\n0.053652 0.620876 0.310324 H\n0.131306 0.897982 0.771107 H\n0.868695 0.102020 0.228892 H\n0.640448 0.095107 0.788365 O\n0.359553 0.904895 0.211634 O\n-0.018931 0.491530 0.777035 O\n0.018931 0.508470 0.222964 O\n0.350326 0.732258 0.780653 O\n0.649675 0.267744 0.219346 O\n",
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{
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"structure_string": "Al8 H24 O24\n1.0\n8.703333 0.000000 0.000000\n0.000000 5.052889 -0.015184\n0.000000 0.028755 9.264123\nAl H O\n8 24 24\ndirect\n0.334536 0.968528 0.486850 Al\n0.665464 0.031472 0.513150 Al\n0.834536 0.531472 0.513150 Al\n0.165464 0.468528 0.486850 Al\n0.834538 0.968445 0.013153 Al\n0.165462 0.031554 0.986847 Al\n0.334538 0.531554 0.986847 Al\n0.665462 0.468445 0.013153 Al\n0.460841 0.173566 0.110782 H\n0.539158 0.826434 0.889218 H\n0.691202 0.170610 0.804513 H\n0.308798 0.829389 0.195487 H\n0.387972 0.158543 0.811726 H\n0.887971 0.341456 0.188274 H\n0.112028 0.658543 0.811727 H\n0.039159 0.673566 0.110782 H\n0.612028 0.841456 0.188274 H\n0.191202 0.329389 0.195487 H\n0.960841 0.326434 0.889218 H\n0.808798 0.670610 0.804513 H\n0.387977 0.341551 0.311701 H\n0.612023 0.658448 0.688299 H\n0.960903 0.173563 0.389243 H\n0.539096 0.673563 0.389243 H\n0.460903 0.326437 0.610757 H\n0.191226 0.170672 0.695487 H\n0.039097 0.826437 0.610757 H\n0.691225 0.329328 0.304513 H\n0.308774 0.670672 0.695487 H\n0.887977 0.158448 0.688299 H\n0.112023 0.841551 0.311702 H\n0.808774 0.829328 0.304513 H\n0.196385 0.729758 0.870129 O\n0.983306 0.135084 0.887050 O\n0.803614 0.270242 0.129871 O\n0.829505 0.643050 0.907957 O\n0.170494 0.356949 0.092043 O\n0.329506 0.856949 0.092044 O\n0.670494 0.143050 0.907956 O\n0.516693 0.635084 0.887050 O\n0.483307 0.364915 0.112950 O\n0.016693 0.864916 0.112950 O\n0.696368 0.729644 0.629863 O\n0.829496 0.856879 0.407951 O\n0.196368 0.770355 0.370137 O\n0.803631 0.229644 0.629863 O\n0.329496 0.643120 0.592049 O\n0.670504 0.356879 0.407951 O\n0.170504 0.143120 0.592049 O\n0.483330 0.135070 0.612953 O\n0.516670 0.864930 0.387047 O\n0.983330 0.364929 0.387047 O\n0.016670 0.635070 0.612953 O\n0.303614 0.229758 0.870129 O\n0.303632 0.270355 0.370137 O\n0.696385 0.770242 0.129871 O\n",
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{
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"structure_string": "Al2 H6 O6\n1.0\n4.796775 0.076284 1.067026\n2.115550 4.349688 1.847419\n-0.376754 0.353489 5.139219\nAl H O\n2 6 6\ndirect\n0.671227 0.659884 0.000565 Al\n0.352032 0.301771 0.002513 Al\n0.624519 0.153022 0.577170 H\n0.390831 0.812554 0.414986 H\n-0.061062 0.292582 0.762473 H\n0.040558 0.522169 0.393557 H\n0.142812 0.859763 0.780881 H\n0.876820 0.079066 0.230366 H\n0.650524 0.069304 0.786135 O\n0.380086 0.896634 0.205619 O\n-0.011725 0.450836 0.772047 O\n0.032081 0.517322 0.206473 O\n0.360102 0.700669 0.776149 O\n0.665569 0.256908 0.217844 O\n",
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},
{
"id": "jvasp-29795",
"created_at": "2022-09-04T14:37:12.079464Z",
"updated_at": "2022-09-04T14:37:12.079485Z",
"structure_string": "Al2 H6 O6\n1.0\n4.480857 -0.251292 2.333066\n2.013517 4.207476 2.324936\n0.786087 0.055769 5.782015\nAl H O\n2 6 6\ndirect\n0.667710 0.668325 0.992005 Al\n0.339808 0.321333 0.005586 Al\n0.816650 0.173579 0.567227 H\n0.190806 0.816084 0.430353 H\n0.213989 0.369364 0.610882 H\n0.793549 0.620277 0.386713 H\n0.297800 0.876016 0.743873 H\n0.709814 0.113645 0.253618 H\n0.746665 0.068217 0.778865 O\n0.260835 0.921444 0.218711 O\n0.116545 0.451860 0.772218 O\n0.890983 0.537811 0.225362 O\n0.493142 0.693298 0.763479 O\n0.514416 0.296339 0.234089 O\n",
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{
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"updated_at": "2022-09-04T14:37:14.602368Z",
"structure_string": "Al2 H2 O4\n1.0\n1.446677 6.032430 -0.000921\n-1.446013 6.032760 -0.000958\n-0.000040 0.000537 3.728896\nAl H O\n2 2 4\ndirect\n0.674221 0.684186 0.269228 Al\n0.313246 0.323141 0.769237 Al\n0.012955 0.022951 0.460423 H\n0.974503 0.984394 0.960420 H\n0.284564 0.294468 0.269894 O\n0.702907 0.712851 0.769890 O\n0.071365 0.081389 0.266644 O\n0.916097 0.925942 0.766654 O\n",
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{
"id": "jvasp-12038",
"created_at": "2022-09-04T14:35:55.207450Z",
"updated_at": "2022-09-04T14:35:55.207482Z",
"structure_string": "Al2 H2 O4\n1.0\n2.161109 6.332083 0.000000\n-0.729078 5.987100 0.000000\n0.000000 0.000000 3.751249\nAl H O\n2 2 4\ndirect\n0.749325 0.613524 0.250000 Al\n0.250674 0.386476 0.750000 Al\n0.247290 0.754636 0.250000 H\n0.752710 0.245363 0.750000 H\n0.250371 0.327824 0.250000 O\n0.749628 0.672176 0.750000 O\n0.248386 -0.085039 0.250000 O\n0.751614 0.085039 0.750000 O\n",
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},
{
"id": "jvasp-14690",
"created_at": "2022-09-04T14:36:55.491726Z",
"updated_at": "2022-09-04T14:36:55.491751Z",
"structure_string": "Ho2 Al4\n1.0\n4.803387 0.000000 2.773236\n1.601129 4.528677 2.773236\n-0.000000 -0.000000 5.546473\nHo Al\n2 4\ndirect\n0.875000 0.875001 0.875000 Ho\n0.125000 0.125000 0.125000 Ho\n0.500000 0.500000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n-0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.500000 Al\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ho",
"Al"
],
"chemical_system": "Al-Ho",
"density": 6.025261864803044,
"density_atomic": 0.049729652254092746,
"volume": 120.65236188146078,
"volume_molar": 12.10975843794359,
"formula_full": "Ho2 Al4",
"formula_reduced": "HoAl2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.2358370555555551,
"spacegroup": 227
}
]
}