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{
"id": "jvasp-12907",
"created_at": "2022-09-04T14:37:28.112430Z",
"updated_at": "2022-09-04T14:37:28.112450Z",
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{
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{
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"volume": 324.0296830390415,
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
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{
"id": "jvasp-9179",
"created_at": "2022-09-04T14:37:13.909134Z",
"updated_at": "2022-09-04T14:37:13.909146Z",
"structure_string": "Sr8 Sn4\n1.0\n5.373053 -0.000000 0.000000\n-0.000000 8.309004 0.000000\n0.000000 0.000000 10.063290\nSr Sn\n8 4\ndirect\n0.250000 0.479296 0.182992 Sr\n0.750000 0.520703 0.817008 Sr\n0.250000 0.979296 0.317008 Sr\n0.750000 0.020703 0.682992 Sr\n0.750000 0.157914 0.074406 Sr\n0.250000 0.842085 0.925594 Sr\n0.750000 0.657914 0.425594 Sr\n0.250000 0.342085 0.574406 Sr\n0.250000 0.750459 0.605270 Sn\n0.750000 0.249541 0.394730 Sn\n0.250000 0.250459 0.894730 Sn\n0.750000 0.749540 0.105270 Sn\n",
"nsites": 12,
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"elements": [
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"volume": 449.2727529493524,
"volume_molar": 22.54653131578088,
"formula_full": "Sr8 Sn4",
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{
"id": "jvasp-36508",
"created_at": "2022-09-04T14:37:31.638201Z",
"updated_at": "2022-09-04T14:37:31.638227Z",
"structure_string": "Cd8 S2 F12\n1.0\n5.566766 -0.000437 -0.000475\n-0.000849 7.948966 0.000121\n-0.000813 0.000013 7.949052\nCd S F\n8 2 12\ndirect\n0.516206 0.250020 0.485989 Cd\n0.516212 0.250056 0.013991 Cd\n0.016200 0.485990 0.250024 Cd\n0.016201 0.013987 0.250024 Cd\n0.483797 0.749944 0.514008 Cd\n0.483777 0.749945 0.986007 Cd\n0.983803 0.514009 0.749930 Cd\n0.983790 0.986012 0.749966 Cd\n0.250001 0.750015 0.249986 S\n0.749990 0.249982 0.750006 S\n0.278416 0.250089 0.249945 F\n0.778415 0.249933 0.250081 F\n0.749896 0.535953 0.036168 F\n0.750078 0.536072 0.463974 F\n0.749978 0.963916 0.036084 F\n0.250050 0.464019 0.963825 F\n0.249934 0.036139 0.535980 F\n0.249968 0.036108 0.963930 F\n0.250084 0.463974 0.536064 F\n0.221577 0.750075 0.749932 F\n0.750062 0.963839 0.464006 F\n0.721576 0.749920 0.750068 F\n",
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{
"id": "jvasp-11430",
"created_at": "2022-09-04T14:37:15.228675Z",
"updated_at": "2022-09-04T14:37:15.228691Z",
"structure_string": "Ba4 Ca4 Ge4\n1.0\n5.074501 0.000000 0.000000\n-0.000000 8.583408 0.000000\n0.000000 0.000000 9.102159\nBa Ca Ge\n4 4 4\ndirect\n0.250000 0.027827 0.175195 Ba\n0.750000 0.972173 0.824806 Ba\n0.250000 0.527827 0.324805 Ba\n0.750000 0.472173 0.675195 Ba\n0.750000 0.858425 0.424094 Ca\n0.250000 0.641575 0.924094 Ca\n0.750000 0.358425 0.075907 Ca\n0.250000 0.141575 0.575907 Ca\n0.250000 0.283082 0.891911 Ge\n0.750000 0.216918 0.391911 Ge\n0.250000 0.783082 0.608089 Ge\n0.750000 0.716918 0.108089 Ge\n",
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"volume": 396.45830207305585,
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"formula_full": "Ba4 Ca4 Ge4",
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"spacegroup": 62
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{
"id": "jvasp-35000",
"created_at": "2022-09-04T14:37:28.949322Z",
"updated_at": "2022-09-04T14:37:28.949348Z",
"structure_string": "Mg2 Cu2 Ge2\n1.0\n4.036811 0.000000 0.000000\n0.000000 4.036811 -0.000000\n0.000000 0.000000 6.361637\nMg Cu Ge\n2 2 2\ndirect\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.295321 Cu\n0.000000 0.500000 0.704680 Cu\n0.500000 0.000000 0.677155 Ge\n0.000000 0.500000 0.322846 Ge\n",
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},
{
"id": "jvasp-81177",
"created_at": "2022-09-04T14:37:14.721369Z",
"updated_at": "2022-09-04T14:37:14.721395Z",
"structure_string": "Mg2 Cd1 Pb1\n1.0\n-10.429005 -0.000000 -6.021188\n-6.822812 0.262479 -0.224919\n-5.874339 2.945166 -1.867723\nMg Cd Pb\n2 1 1\ndirect\n0.755272 -0.000001 0.000000 Mg\n0.244728 -0.000000 0.000000 Mg\n0.000000 0.000000 0.000000 Cd\n0.500000 -0.000001 0.000000 Pb\n",
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},
{
"id": "jvasp-42014",
"created_at": "2022-09-04T14:37:31.934844Z",
"updated_at": "2022-09-04T14:37:31.934864Z",
"structure_string": "Sr2 Tl1 Cd1\n1.0\n0.000000 4.033015 4.033015\n4.033015 0.000000 4.033015\n4.033015 4.033015 -0.000000\nSr Tl Cd\n2 1 1\ndirect\n0.500001 0.500001 0.500001 Sr\n0.000000 0.000000 0.000000 Sr\n0.750001 0.750001 0.750001 Tl\n0.250001 0.250001 0.250001 Cd\n",
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{
"id": "jvasp-29558",
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"updated_at": "2022-09-04T14:37:14.933136Z",
"structure_string": "Bi2 Br6\n1.0\n6.733002 0.026169 -1.195521\n-1.920486 5.906808 -3.577068\n0.010314 -0.002874 7.167562\nBi Br\n2 6\ndirect\n-0.000000 0.833607 0.166393 Bi\n-0.000000 0.166394 0.833607 Bi\n0.257547 0.921664 0.584639 Br\n0.742452 0.415361 0.078336 Br\n0.257547 0.584640 0.921664 Br\n0.742452 0.078337 0.415361 Br\n0.263516 0.245860 0.245860 Br\n0.736483 0.754141 0.754140 Br\n",
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{
"id": "jvasp-106495",
"created_at": "2022-09-04T14:37:14.952944Z",
"updated_at": "2022-09-04T14:37:14.952972Z",
"structure_string": "Ca2 Tl1 Sn1\n1.0\n4.715094 0.000000 2.722261\n1.571698 4.445433 2.722261\n-0.000000 -0.000000 5.444522\nCa Tl Sn\n2 1 1\ndirect\n0.750000 0.749999 0.750000 Ca\n0.250000 0.250000 0.250000 Ca\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Sn\n",
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{
"id": "jvasp-79216",
"created_at": "2022-09-04T14:37:12.884640Z",
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"structure_string": "Ca3 Pb1\n1.0\n5.002195 0.000000 0.000000\n-0.000000 5.002195 0.000000\n-0.000000 -0.000000 5.002195\nCa Pb\n3 1\ndirect\n0.500000 0.500000 0.000000 Ca\n0.500000 0.000000 0.500000 Ca\n0.000000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Pb\n",
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}