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{
"id": "jvasp-107866",
"created_at": "2022-09-04T14:36:37.248923Z",
"updated_at": "2022-09-04T14:36:37.248948Z",
"structure_string": "Rb2 Al1 Tl1 Cl6\n1.0\n6.509881 -0.000000 3.758481\n2.169960 6.137575 3.758481\n-0.000000 -0.000000 7.516963\nRb Al Tl Cl\n2 1 1 6\ndirect\n0.750000 0.749999 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Tl\n0.780398 0.219602 0.219602 Cl\n0.219602 0.219602 0.780398 Cl\n0.219602 0.780397 0.780398 Cl\n0.219602 0.780397 0.219602 Cl\n0.780398 0.219602 0.780398 Cl\n0.780398 0.780397 0.219602 Cl\n",
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{
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{
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"created_at": "2022-09-04T14:36:33.881318Z",
"updated_at": "2022-09-04T14:36:33.881336Z",
"structure_string": "Tl4 Br3 Cl1\n1.0\n3.948587 -0.000000 0.000000\n0.000000 3.948587 0.000000\n-0.000000 -0.000000 15.793595\nTl Br Cl\n4 3 1\ndirect\n0.000000 0.000000 0.881820 Tl\n0.000000 0.000000 0.118180 Tl\n0.000000 0.000000 0.372858 Tl\n0.000000 0.000000 0.627142 Tl\n0.500000 0.500000 0.245603 Br\n0.500000 0.500000 0.500000 Br\n0.500000 0.500000 0.754397 Br\n0.500000 0.500000 -0.000000 Cl\n",
"nsites": 8,
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"volume": 246.24329835759565,
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"formula_full": "Tl4 Br3 Cl1",
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},
{
"id": "jvasp-101400",
"created_at": "2022-09-04T14:36:33.950068Z",
"updated_at": "2022-09-04T14:36:33.950096Z",
"structure_string": "Ho1 Mg1 Cd2\n1.0\n4.369189 0.000000 2.522553\n1.456396 4.119311 2.522553\n-0.000000 -0.000000 5.045105\nHo Mg Cd\n1 1 2\ndirect\n0.500001 0.500000 0.499999 Ho\n0.000000 0.000000 0.000000 Mg\n0.750001 0.750000 0.749998 Cd\n0.250000 0.250000 0.249999 Cd\n",
"nsites": 4,
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"elements": [
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},
{
"id": "jvasp-101451",
"created_at": "2022-09-04T14:36:38.680334Z",
"updated_at": "2022-09-04T14:36:38.680356Z",
"structure_string": "Sm1 Zn2 Ga2\n1.0\n3.921113 -0.007604 -4.708871\n-0.519182 3.886597 -4.708871\n0.006669 0.007604 6.127687\nSm Zn Ga\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.750000 0.250000 0.500001 Zn\n0.250000 0.750000 0.500001 Zn\n0.614083 0.614084 0.000001 Ga\n0.385917 0.385918 0.000001 Ga\n",
"nsites": 5,
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],
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},
{
"id": "jvasp-99672",
"created_at": "2022-09-04T14:36:33.878617Z",
"updated_at": "2022-09-04T14:36:33.878640Z",
"structure_string": "Rb2 In1 As1 Br6\n1.0\n6.886187 0.000000 3.975742\n2.295395 6.492359 3.975742\n-0.000000 -0.000000 7.951483\nRb In As Br\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500001 0.500000 0.499999 In\n0.000000 0.000000 0.000000 As\n0.761759 0.238242 0.238241 Br\n0.238242 0.238242 0.761758 Br\n0.238242 0.761758 0.761757 Br\n0.238242 0.761758 0.238241 Br\n0.761759 0.238242 0.761758 Br\n0.761759 0.761758 0.238241 Br\n",
"nsites": 10,
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"density_atomic": 0.028130051457535672,
"volume": 355.49170662185657,
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{
"id": "jvasp-99686",
"created_at": "2022-09-04T14:36:37.333597Z",
"updated_at": "2022-09-04T14:36:37.333621Z",
"structure_string": "K2 Rb1 Al1 F6\n1.0\n5.405639 0.000000 3.120947\n1.801880 5.096486 3.120947\n0.000000 0.000000 6.241895\nK Rb Al F\n2 1 1 6\ndirect\n0.750000 0.750001 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Al\n0.793060 0.206940 0.206940 F\n0.206940 0.206940 0.793060 F\n0.206940 0.793061 0.793060 F\n0.206940 0.793061 0.206940 F\n0.793060 0.206940 0.793060 F\n0.793060 0.793061 0.206940 F\n",
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"F"
],
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"density": 2.941687250792687,
"density_atomic": 0.05815213532037901,
"volume": 171.96273094542016,
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"formula_full": "K2 Rb1 Al1 F6",
"formula_reduced": "K2RbAlF6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
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{
"id": "jvasp-92639",
"created_at": "2022-09-04T14:36:34.076431Z",
"updated_at": "2022-09-04T14:36:34.076460Z",
"structure_string": "Yb1 Ga4\n1.0\n2.694041 3.040473 -1.487697\n2.694041 -3.040473 -1.487697\n0.026361 0.000000 -6.052864\nYb Ga\n1 4\ndirect\n0.000000 0.000000 0.000000 Yb\n0.584351 0.584351 0.770558 Ga\n0.415648 0.415648 0.229443 Ga\n0.225253 0.774747 0.500000 Ga\n0.774747 0.225253 0.500000 Ga\n",
"nsites": 5,
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"elements": [
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"formula_full": "Yb1 Ga4",
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},
{
"id": "jvasp-99415",
"created_at": "2022-09-04T14:36:38.819094Z",
"updated_at": "2022-09-04T14:36:38.819109Z",
"structure_string": "Rb2 Tb1 Cu1 Cl6\n1.0\n6.307670 -0.000000 3.641735\n2.102557 5.946928 3.641735\n-0.000000 -0.000000 7.283470\nTb Rb Cu Cl\n1 2 1 6\ndirect\n0.000000 0.000000 0.000000 Tb\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.499999 Cu\n0.744784 0.255216 0.255215 Cl\n0.255216 0.255216 0.744783 Cl\n0.255217 0.744784 0.744783 Cl\n0.255217 0.744784 0.255215 Cl\n0.744784 0.255216 0.744783 Cl\n0.744784 0.744784 0.255215 Cl\n",
"nsites": 10,
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{
"id": "jvasp-8149",
"created_at": "2022-09-04T14:36:38.814002Z",
"updated_at": "2022-09-04T14:36:38.814028Z",
"structure_string": "K6 P2\n1.0\n2.828523 -4.899146 0.000000\n2.828523 4.899146 -0.000000\n-0.000000 0.000000 10.004372\nK P\n6 2\ndirect\n0.333332 0.666667 0.419808 K\n0.666667 0.333332 0.919807 K\n0.666667 0.333332 0.580192 K\n0.333332 0.666667 0.080192 K\n0.000000 0.000000 0.250000 K\n0.000000 0.000000 0.750000 K\n0.666667 0.333332 0.250000 P\n0.333332 0.666667 0.750000 P\n",
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{
"id": "jvasp-12524",
"created_at": "2022-09-04T14:36:47.411378Z",
"updated_at": "2022-09-04T14:36:47.411394Z",
"structure_string": "In2 Sn4 I10\n1.0\n7.909456 0.000000 -3.960517\n-1.983157 7.656801 -3.960517\n-0.017959 -0.023204 9.842289\nIn Sn I\n2 4 10\ndirect\n0.250000 0.250000 0.500000 In\n0.750000 0.750000 0.500000 In\n0.168439 0.668439 -0.000000 Sn\n0.331561 0.168439 -0.000000 Sn\n0.668439 0.831561 -0.000001 Sn\n0.831561 0.331561 -0.000000 Sn\n0.000000 0.000000 0.000000 I\n0.500000 0.500000 -0.000000 I\n0.515623 0.015623 0.716791 I\n0.701168 0.515623 0.716790 I\n0.015623 0.201168 0.716791 I\n0.298832 0.484378 0.283209 I\n0.984378 0.798832 0.283209 I\n0.798832 0.298832 0.283209 I\n0.484377 0.984377 0.283209 I\n0.201168 0.701168 0.716790 I\n",
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{
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"created_at": "2022-09-04T14:36:31.838009Z",
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"structure_string": "Cd3 Bi1\n1.0\n4.323193 0.123596 -3.811725\n-0.801717 4.250003 -3.811725\n-0.099515 -0.123596 5.762754\nCd Bi\n3 1\ndirect\n0.749999 0.250000 0.500000 Cd\n0.249999 0.749999 0.499999 Cd\n0.499999 0.500000 0.000001 Cd\n0.000000 0.000000 0.000000 Bi\n",
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}