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{
"id": "jvasp-52216",
"created_at": "2022-09-04T14:35:49.502152Z",
"updated_at": "2022-09-04T14:35:49.502178Z",
"structure_string": "Sc5 Cu5 O13\n1.0\n5.782426 -0.024875 0.017769\n0.932129 5.922944 0.000932\n2.900872 2.386567 7.900823\nSc Cu O\n5 5 13\ndirect\n0.700751 0.456307 0.110345 Sc\n0.101640 0.510388 0.296080 Sc\n0.499351 0.509857 0.499246 Sc\n0.899720 0.552381 0.690627 Sc\n0.300610 0.457679 0.904481 Sc\n0.430935 -0.001767 0.172957 Cu\n0.791591 0.005591 0.409594 Cu\n0.197084 0.013602 0.609176 Cu\n0.596189 0.996124 0.797549 Cu\n0.991674 0.995617 0.006996 Cu\n0.328311 0.042802 0.977237 O\n0.600361 0.330847 0.722023 O\n0.252682 0.684901 0.667686 O\n0.863513 0.950234 0.614698 O\n0.181077 0.342600 0.536533 O\n0.012474 0.659818 0.062294 O\n0.431077 0.668888 0.258338 O\n0.780380 0.330328 0.350751 O\n0.353656 0.319344 0.147297 O\n0.965463 0.331240 0.915341 O\n0.724628 0.050991 0.207232 O\n0.825680 0.683164 0.451638 O\n0.600992 0.662332 0.881162 O\n",
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{
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"structure_string": "Na4 Be2 H8\n1.0\n4.981583 0.000000 0.000000\n0.000000 4.962561 -0.853228\n0.000000 -0.168087 6.689008\nNa Be H\n4 2 8\ndirect\n0.250000 0.722773 0.028847 Na\n0.750000 0.277226 0.971152 Na\n0.750000 0.248127 0.463103 Na\n0.250000 0.751873 0.536897 Na\n0.250000 0.280148 0.217964 Be\n0.750000 0.719851 0.782036 Be\n0.750000 0.930756 0.660899 H\n0.750000 0.825770 0.998677 H\n0.520243 0.545934 0.735795 H\n0.250000 0.069243 0.339100 H\n0.979757 0.545934 0.735795 H\n0.020243 0.454065 0.264205 H\n0.479757 0.454065 0.264205 H\n0.250000 0.174229 0.001323 H\n",
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{
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"created_at": "2022-09-04T14:38:32.527682Z",
"updated_at": "2022-09-04T14:38:32.527720Z",
"structure_string": "Sn1 O1 F2\n1.0\n3.326569 0.000000 -0.000000\n0.000000 3.326569 0.000000\n0.000000 0.000000 4.250877\nSn O F\n1 1 2\ndirect\n0.500001 0.500001 0.676774 Sn\n0.000000 0.000000 0.827070 O\n0.000000 0.000000 0.337378 F\n0.500001 0.500001 0.168780 F\n",
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"volume": 47.040465510754665,
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{
"id": "jvasp-122466",
"created_at": "2022-09-04T14:38:54.108663Z",
"updated_at": "2022-09-04T14:38:54.108700Z",
"structure_string": "Sr3 Ti2 Mn2 Bi1 O12\n1.0\n5.273271 0.001865 7.905640\n2.396093 4.697460 7.905640\n0.003043 0.001865 9.502975\nSr Ti Mn Bi O\n3 2 2 1 12\ndirect\n0.747846 0.747844 0.747848 Sr\n0.500000 0.499999 0.500001 Sr\n0.252154 0.252153 0.252155 Sr\n0.124474 0.124474 0.124475 Ti\n0.875525 0.875524 0.875528 Ti\n0.625242 0.625241 0.625243 Mn\n0.374758 0.374757 0.374759 Mn\n0.000000 0.000000 0.000000 Bi\n0.250217 0.752703 0.752705 O\n-0.000000 0.499999 0.500001 O\n-0.000000 -0.000001 0.500001 O\n0.247296 0.247295 0.749784 O\n0.752703 0.752703 0.250219 O\n0.500000 -0.000001 0.500001 O\n0.752704 0.250216 0.752705 O\n-0.000000 0.500000 0.000000 O\n0.749782 0.247295 0.247297 O\n0.247296 0.749782 0.247297 O\n0.500000 0.499999 0.000001 O\n0.500000 -0.000001 0.000000 O\n",
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{
"id": "jvasp-86792",
"created_at": "2022-09-04T14:35:55.811451Z",
"updated_at": "2022-09-04T14:35:55.811470Z",
"structure_string": "Na4 Be2 H8\n1.0\n4.981859 0.000000 0.000000\n0.000000 4.962339 -0.853129\n0.000000 -0.168021 6.688549\nNa Be H\n4 2 8\ndirect\n0.250000 0.722742 0.028864 Na\n0.750000 0.277259 0.971136 Na\n0.750000 0.248085 0.463058 Na\n0.250000 0.751916 0.536942 Na\n0.250000 0.280108 0.217946 Be\n0.750000 0.719892 0.782055 Be\n0.750000 0.930887 0.660984 H\n0.750000 0.825748 0.998726 H\n0.520262 0.545960 0.735797 H\n0.250000 0.069114 0.339016 H\n0.979738 0.545960 0.735797 H\n0.020262 0.454040 0.264203 H\n0.479738 0.454040 0.264203 H\n0.250000 0.174252 0.001274 H\n",
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"density_atomic": 0.08503504396711636,
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{
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"created_at": "2022-09-04T14:36:09.383725Z",
"updated_at": "2022-09-04T14:36:09.383760Z",
"structure_string": "Mn6 O4 F8\n1.0\n-4.991193 4.991193 3.138563\n-0.227075 4.752514 -3.119848\n-4.752514 0.227075 -3.119848\nMn O F\n6 4 8\ndirect\n0.842800 0.642698 0.669534 Mn\n0.670154 0.350171 0.309479 Mn\n0.329844 0.690521 0.649828 Mn\n0.157199 0.330466 0.357302 Mn\n0.499999 0.981264 0.018736 Mn\n-0.000001 0.986943 0.013056 Mn\n-0.000001 0.685050 0.314950 O\n-0.000001 0.290190 0.709810 O\n0.324959 0.987836 0.364224 O\n0.675039 0.635775 0.012164 O\n0.037034 0.767814 0.775551 F\n0.671705 0.034684 0.621251 F\n0.328293 0.378749 0.965316 F\n0.301965 0.899761 0.898860 F\n0.625127 0.570710 0.558223 F\n0.962963 0.224449 0.232186 F\n0.698032 0.101140 0.100239 F\n0.374870 0.441777 0.429290 F\n",
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"elements": [
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{
"id": "jvasp-42204",
"created_at": "2022-09-04T14:38:17.856316Z",
"updated_at": "2022-09-04T14:38:17.856344Z",
"structure_string": "Na6 V2 B2 P2 O14\n1.0\n0.000000 5.244859 -0.003128\n6.534664 0.000000 0.000000\n0.000000 -0.215833 -8.919875\nNa V B P O\n6 2 2 2 14\ndirect\n0.237892 0.750000 0.073433 Na\n0.750513 0.996628 0.255551 Na\n0.750513 0.503371 0.255551 Na\n0.249487 0.496629 0.744450 Na\n0.249487 0.003371 0.744450 Na\n0.762109 0.250000 0.926568 Na\n0.221322 0.250000 0.333839 V\n0.778679 0.750000 0.666162 V\n0.726627 0.750000 0.935868 B\n0.273374 0.250000 0.064133 B\n0.282689 0.750000 0.421677 P\n0.717312 0.250000 0.578323 P\n0.527209 0.750000 0.825996 O\n0.787145 0.061452 0.677184 O\n0.787145 0.438547 0.677184 O\n0.426779 0.250000 0.539317 O\n0.128159 0.750000 0.566468 O\n0.871842 0.250000 0.433533 O\n0.690151 0.750000 0.084143 O\n0.212856 0.561452 0.322816 O\n0.212856 0.938547 0.322816 O\n0.472792 0.250000 0.174004 O\n0.035754 0.250000 0.132866 O\n0.964247 0.750000 0.867135 O\n0.573222 0.750000 0.460684 O\n0.309850 0.250000 0.915858 O\n",
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{
"id": "jvasp-8358",
"created_at": "2022-09-04T14:37:07.725017Z",
"updated_at": "2022-09-04T14:37:07.725045Z",
"structure_string": "Al1 Co1 F5\n1.0\n3.340076 -0.000000 1.228282\n1.367218 4.771240 1.437601\n-0.004320 0.020919 5.167229\nAl Co F\n1 1 5\ndirect\n0.500001 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Co\n0.500001 0.797203 0.202796 F\n0.500001 0.202797 0.797203 F\n0.742061 0.257940 0.257939 F\n0.257941 0.742060 0.742060 F\n0.000000 0.500000 0.500000 F\n",
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{
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"created_at": "2022-09-04T14:36:15.927124Z",
"updated_at": "2022-09-04T14:36:15.927162Z",
"structure_string": "Al2 Co1 Ni1\n1.0\n2.850093 -0.000000 0.000000\n0.000000 2.850093 0.000000\n-0.000000 -0.000000 5.789640\nAl Co Ni\n2 1 1\ndirect\n0.000000 0.000000 0.754171 Al\n0.000000 0.000000 0.245829 Al\n0.500000 0.500000 -0.000000 Co\n0.500000 0.500000 0.500000 Ni\n",
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{
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"created_at": "2022-09-04T14:37:07.218377Z",
"updated_at": "2022-09-04T14:37:07.218398Z",
"structure_string": "Mg4 Ti4 O10\n1.0\n0.000000 5.996049 -0.004224\n3.184573 0.000000 0.000000\n0.000000 -0.008249 -11.082633\nMg Ti O\n4 4 10\ndirect\n0.756976 0.500000 0.095712 Mg\n0.427199 0.500000 0.878160 Mg\n0.072754 0.500000 0.378153 Mg\n0.743037 0.500000 0.595723 Mg\n0.554135 0.000000 0.365673 Ti\n0.216282 0.000000 0.634107 Ti\n0.945851 0.000000 0.865679 Ti\n0.283740 0.000000 0.134114 Ti\n0.753627 0.500000 0.405103 O\n0.217049 0.000000 0.311939 O\n0.384534 0.500000 0.052278 O\n0.746340 0.500000 0.905089 O\n0.502951 0.000000 0.559618 O\n0.282921 0.000000 0.811941 O\n0.874335 0.000000 0.697425 O\n-0.002933 0.000000 0.059592 O\n0.625714 0.000000 0.197423 O\n0.115488 0.500000 0.552266 O\n",
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{
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},
{
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"created_at": "2022-09-04T14:37:19.045607Z",
"updated_at": "2022-09-04T14:37:19.045627Z",
"structure_string": "Hf4 Mn4 O12\n1.0\n5.377833 -0.000000 0.000000\n-0.000000 5.551432 0.000000\n0.000000 0.000000 7.875894\nHf Mn O\n4 4 12\ndirect\n0.000000 0.500000 0.000000 Hf\n0.000000 0.500000 0.500000 Hf\n0.500000 0.000000 0.000000 Hf\n0.500000 0.000000 0.500000 Hf\n0.003188 0.961804 0.750000 Mn\n0.496812 0.461804 0.750000 Mn\n0.503187 0.538196 0.250000 Mn\n0.996812 0.038196 0.250000 Mn\n0.824843 0.819606 0.067064 O\n0.675156 0.319607 0.432936 O\n0.675156 0.319607 0.067064 O\n0.625304 0.066236 0.750000 O\n0.374695 0.933764 0.250000 O\n0.175157 0.180393 0.567064 O\n0.324843 0.680393 0.567064 O\n0.175157 0.180393 0.932935 O\n0.824843 0.819606 0.432936 O\n0.125304 0.433764 0.250000 O\n0.324843 0.680393 0.932935 O\n0.874695 0.566235 0.750000 O\n",
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]
}