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{
"id": "jvasp-9512",
"created_at": "2022-09-04T14:37:10.662387Z",
"updated_at": "2022-09-04T14:37:10.662420Z",
"structure_string": "Cr2 Si2 O10\n1.0\n5.036376 0.218231 0.191980\n-0.495311 5.003156 -0.083736\n-1.692296 -2.324915 6.737119\nCr Si O\n2 2 10\ndirect\n0.498762 0.949752 0.464119 Cr\n0.933945 0.501597 0.979035 Cr\n0.059383 0.891095 0.745834 Si\n0.969903 0.160082 0.284850 Si\n0.119732 0.200532 0.922035 O\n0.733736 0.824938 0.634157 O\n0.878176 0.855889 0.104391 O\n0.296547 0.205859 0.394037 O\n0.793631 0.158191 0.449632 O\n0.898381 0.418679 0.199905 O\n0.238166 0.872251 0.581708 O\n0.139826 0.649234 0.848413 O\n0.431702 0.695229 0.263936 O\n0.649771 0.382720 0.825723 O\n",
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{
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{
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"created_at": "2022-09-04T14:37:29.725894Z",
"updated_at": "2022-09-04T14:37:29.725918Z",
"structure_string": "Ta4 Sb4 O16\n1.0\n6.229951 0.000000 0.000000\n0.000000 6.262270 0.000000\n0.000000 0.000000 10.460218\nTa Sb O\n4 4 16\ndirect\n0.750000 0.995947 0.000000 Ta\n0.250000 0.004053 0.000000 Ta\n0.750000 0.504053 0.500000 Ta\n0.250000 0.495947 0.500000 Ta\n0.982667 0.750000 0.750000 Sb\n0.517333 0.750000 0.250000 Sb\n0.017333 0.250000 0.250000 Sb\n0.482667 0.250000 0.750000 Sb\n0.755069 0.546388 0.312073 O\n0.516617 0.292976 0.519882 O\n0.244931 0.046388 0.812073 O\n0.255069 0.453612 0.312073 O\n0.016617 0.792976 0.980118 O\n0.983382 0.207024 0.019882 O\n0.255069 0.046388 0.187927 O\n0.744930 0.953612 0.812073 O\n0.244931 0.453612 0.687927 O\n0.516617 0.207024 0.980118 O\n0.016617 0.707024 0.519882 O\n0.755069 0.953612 0.187927 O\n0.983382 0.292976 0.480118 O\n0.483383 0.707024 0.480118 O\n0.483383 0.792976 0.019882 O\n0.744930 0.546388 0.687927 O\n",
"nsites": 24,
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{
"id": "jvasp-74476",
"created_at": "2022-09-04T14:36:17.571090Z",
"updated_at": "2022-09-04T14:36:17.571112Z",
"structure_string": "Be1 Cr1 Co1\n1.0\n1.230318 -2.130974 0.000000\n1.230318 2.130974 -0.000000\n-0.000000 0.000000 5.823195\nBe Cr Co\n1 1 1\ndirect\n0.000000 0.000000 0.989828 Be\n0.666667 0.333334 0.336080 Cr\n0.333334 0.666667 0.674090 Co\n",
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"density_atomic": 0.09825041573608409,
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{
"id": "jvasp-43144",
"created_at": "2022-09-04T14:36:15.217323Z",
"updated_at": "2022-09-04T14:36:15.217337Z",
"structure_string": "Fe1 Ni3 P4 O16\n1.0\n0.000000 4.681829 -0.011852\n5.668202 0.000000 0.000000\n0.000000 0.017879 -9.601153\nFe Ni P O\n1 3 4 16\ndirect\n0.065478 0.000000 0.272591 Fe\n0.935543 0.500000 0.729065 Ni\n0.566287 0.500000 0.226155 Ni\n0.432815 0.000000 0.771932 Ni\n0.886238 0.000000 0.593012 P\n0.619558 0.000000 0.083954 P\n0.385068 0.500000 0.910564 P\n0.109974 0.500000 0.413312 P\n0.265604 0.711548 0.336345 O\n0.210067 0.000000 0.610194 O\n0.297986 0.000000 0.112428 O\n0.226432 0.287640 0.836392 O\n0.226432 0.712360 0.836392 O\n0.322922 0.500000 0.067235 O\n0.679098 0.000000 0.927989 O\n0.787950 0.500000 0.391106 O\n0.772325 0.211352 0.160293 O\n0.709351 0.500000 0.891011 O\n0.265604 0.288451 0.336345 O\n0.727716 0.786574 0.664815 O\n0.727716 0.213425 0.664815 O\n0.830860 0.000000 0.434854 O\n0.772325 0.788648 0.160293 O\n0.176656 0.500000 0.568900 O\n",
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{
"id": "jvasp-49780",
"created_at": "2022-09-04T14:36:02.656164Z",
"updated_at": "2022-09-04T14:36:02.656189Z",
"structure_string": "Y6 Te1 O12\n1.0\n4.915331 2.837868 3.124206\n-4.915331 2.837867 3.124206\n0.000000 -5.675735 3.124206\nY Te O\n6 1 12\ndirect\n0.390746 0.855768 0.685412 Y\n0.314590 0.609255 0.144233 Y\n0.144233 0.314589 0.609256 Y\n0.855768 0.685412 0.390746 Y\n0.685412 0.390746 0.855768 Y\n0.609255 0.144233 0.314589 Y\n0.000000 0.000000 0.000000 Te\n0.823061 0.407270 0.567586 O\n0.432415 0.176940 0.592731 O\n0.930382 0.701399 0.033775 O\n0.592731 0.432415 0.176940 O\n0.407270 0.567586 0.823061 O\n0.176940 0.592731 0.432415 O\n0.567586 0.823061 0.407270 O\n0.701399 0.033775 0.930382 O\n0.298603 0.966226 0.069619 O\n0.033775 0.930382 0.701399 O\n0.069619 0.298602 0.966226 O\n0.966226 0.069619 0.298602 O\n",
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],
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},
{
"id": "jvasp-46460",
"created_at": "2022-09-04T14:38:07.785011Z",
"updated_at": "2022-09-04T14:38:07.785026Z",
"structure_string": "Li1 Mn3 Ni2 O8\n1.0\n-0.000000 4.036041 4.036041\n4.143601 -0.015547 4.051588\n4.143601 4.051588 -0.015547\nLi Mn Ni O\n1 3 2 8\ndirect\n0.881791 0.868209 0.868209 Li\n0.116990 0.133010 0.133010 Mn\n0.990957 0.504095 0.504095 Mn\n0.500853 0.504095 0.504095 Mn\n0.499863 0.500985 -0.000710 Ni\n0.499863 -0.000710 0.500985 Ni\n0.245059 0.261712 0.261712 O\n0.731516 0.261712 0.261712 O\n0.246996 0.742415 0.263594 O\n0.246996 0.263594 0.742415 O\n0.748486 0.724754 0.278275 O\n0.748486 0.278275 0.724754 O\n0.754483 0.728928 0.728928 O\n0.287661 0.728928 0.728928 O\n",
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{
"id": "jvasp-15159",
"created_at": "2022-09-04T14:36:38.992678Z",
"updated_at": "2022-09-04T14:36:38.992716Z",
"structure_string": "Ho1 Fe2 Si2\n1.0\n3.716271 -0.000000 -1.361117\n-0.498521 3.682683 -1.361117\n-0.089275 -0.102175 5.510096\nHo Fe Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ho\n0.749999 0.249999 0.499999 Fe\n0.249999 0.749999 0.499999 Fe\n0.633761 0.633760 0.267522 Si\n0.366238 0.366238 0.732476 Si\n",
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{
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"created_at": "2022-09-04T14:38:46.352358Z",
"updated_at": "2022-09-04T14:38:46.352370Z",
"structure_string": "Ho4 Fe2 Mo2 O14\n1.0\n6.209332 0.015311 3.525738\n2.130454 5.822419 3.545130\n0.130453 0.061667 7.150738\nHo Fe Mo O\n4 2 2 14\ndirect\n0.500000 -0.000000 0.000000 Ho\n-0.000000 0.000000 0.500000 Ho\n-0.000000 0.500000 0.000000 Ho\n0.499999 0.500000 0.500001 Ho\n0.500000 0.000000 0.500000 Fe\n-0.000001 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 Mo\n0.000000 0.000000 0.000000 Mo\n0.173257 0.617855 0.178273 O\n0.823607 0.825828 0.384842 O\n0.384451 0.827452 0.820552 O\n0.826741 0.382146 0.821728 O\n0.608537 0.606919 0.119717 O\n0.117367 0.602563 0.605933 O\n0.394804 0.881142 0.393411 O\n0.391462 0.393082 0.880284 O\n0.882631 0.397437 0.394068 O\n0.615548 0.172549 0.179449 O\n0.886258 0.884533 0.888190 O\n0.113740 0.115468 0.111811 O\n0.605194 0.118858 0.606590 O\n0.176391 0.174172 0.615159 O\n",
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{
"id": "jvasp-47838",
"created_at": "2022-09-04T14:37:06.582338Z",
"updated_at": "2022-09-04T14:37:06.582359Z",
"structure_string": "Li3 Ti2 Fe3 O10\n1.0\n5.037435 -0.104536 0.060525\n0.945622 4.888716 0.106524\n2.224292 1.838605 7.113790\nLi Ti Fe O\n3 2 3 10\ndirect\n0.509924 0.776128 0.407096 Li\n-0.000000 0.500001 0.500000 Li\n0.490074 0.223872 0.592905 Li\n0.004253 0.874024 0.694236 Ti\n0.995745 0.125976 0.305765 Ti\n0.499999 -0.000001 0.000000 Fe\n0.986444 0.302717 0.903159 Fe\n0.013554 0.697283 0.096841 Fe\n0.220109 0.349024 0.050541 O\n0.762929 0.218730 0.766829 O\n0.788337 0.466657 0.331915 O\n0.211661 0.533343 0.668086 O\n0.214065 0.959382 0.864113 O\n0.779889 0.650977 0.949459 O\n0.772623 0.885162 0.532866 O\n0.227374 0.114839 0.467135 O\n0.237069 0.781270 0.233171 O\n0.785933 0.040619 0.135887 O\n",
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{
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"updated_at": "2022-09-04T14:38:07.589908Z",
"structure_string": "Nb12 Si4 Te24\n1.0\n6.442061 -0.000000 0.000000\n0.000000 11.661681 0.000000\n0.000000 0.000000 14.238720\nNb Si Te\n12 4 24\ndirect\n0.168792 0.835104 0.250000 Nb\n0.668792 0.664895 0.250000 Nb\n0.331208 0.335105 0.750000 Nb\n0.831208 0.164895 0.750000 Nb\n0.695932 0.967882 0.250000 Nb\n0.195932 0.532118 0.250000 Nb\n0.804068 0.467882 0.750000 Nb\n0.304068 0.032118 0.750000 Nb\n0.969140 0.312052 0.250000 Nb\n0.469140 0.187948 0.250000 Nb\n0.530860 0.812052 0.750000 Nb\n0.030860 0.687948 0.750000 Nb\n0.924500 0.925212 0.750000 Si\n0.424500 0.574788 0.750000 Si\n0.575500 0.425212 0.250000 Si\n0.075500 0.074788 0.250000 Si\n0.144791 0.497694 0.879038 Te\n0.644791 0.002306 0.620962 Te\n0.644791 0.002306 0.879038 Te\n0.144791 0.497694 0.620962 Te\n0.855208 0.502306 0.120962 Te\n0.355208 0.997694 0.379038 Te\n0.796420 0.156318 0.117334 Te\n0.296421 0.343682 0.382666 Te\n0.703579 0.656318 0.882666 Te\n0.203579 0.843682 0.617334 Te\n0.203579 0.843682 0.882666 Te\n0.151087 0.182081 0.884137 Te\n0.296421 0.343682 0.117334 Te\n0.796420 0.156318 0.382666 Te\n0.848913 0.817919 0.115863 Te\n0.348913 0.682081 0.384137 Te\n0.651087 0.317919 0.884137 Te\n0.151087 0.182081 0.615863 Te\n0.855208 0.502306 0.379038 Te\n0.651087 0.317919 0.615863 Te\n0.348913 0.682081 0.115863 Te\n0.848913 0.817919 0.384137 Te\n0.703579 0.656318 0.617334 Te\n0.355208 0.997694 0.120962 Te\n",
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{
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"structure_string": "Li2 Y2 P8 O24\n1.0\n6.451361 -0.000000 2.786838\n2.222067 7.728367 3.716724\n-0.010537 0.013118 8.885066\nLi Y P O\n2 2 8 24\ndirect\n0.205712 0.750000 0.250000 Li\n0.794287 0.250000 0.750000 Li\n0.701941 0.750000 0.250000 Y\n0.298058 0.250000 0.750000 Y\n0.495725 0.802847 0.903514 P\n0.504274 0.197153 0.096486 P\n0.191472 0.385752 0.340281 P\n0.808528 0.614249 0.659719 P\n0.082496 0.885752 0.840281 P\n0.917504 0.114248 0.159719 P\n0.202086 0.697154 0.596486 P\n0.797914 0.302847 0.403514 P\n0.334174 0.317304 0.456057 O\n0.892464 0.817305 0.956057 O\n0.254051 0.527077 0.731809 O\n0.665825 0.682696 0.543943 O\n0.343907 0.724765 0.414948 O\n0.034773 0.263904 0.420900 O\n0.939567 0.925621 0.200944 O\n0.323642 0.356190 0.155549 O\n0.512937 0.972924 0.768191 O\n0.965226 0.736097 0.579100 O\n0.280423 0.763905 0.920900 O\n0.066132 0.574380 0.299056 O\n0.487063 0.027077 0.231809 O\n0.745949 0.472923 0.268191 O\n0.060433 0.074380 0.799056 O\n0.719577 0.236096 0.079100 O\n0.835380 0.143810 0.344452 O\n0.516379 0.224765 0.914949 O\n0.164619 0.856191 0.655549 O\n0.483620 0.775236 0.085051 O\n0.676358 0.643810 0.844451 O\n0.933868 0.425621 0.700944 O\n0.107536 0.182696 0.043943 O\n0.656092 0.275236 0.585052 O\n",
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}
]
}