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{
"id": "jvasp-93057",
"created_at": "2022-09-04T14:35:57.933780Z",
"updated_at": "2022-09-04T14:35:57.933812Z",
"structure_string": "Na1 Hf1 Mg6\n1.0\n6.461070 -0.000428 0.000000\n-3.230905 5.595236 0.000000\n0.000000 0.000000 5.108769\nNa Hf Mg\n1 1 6\ndirect\n0.083305 0.416695 0.250000 Na\n0.416680 0.083320 0.750000 Hf\n0.093532 0.921821 0.250000 Mg\n0.578180 0.406469 0.250000 Mg\n0.578202 0.921800 0.250000 Mg\n0.424812 0.587377 0.750000 Mg\n0.912623 0.075188 0.750000 Mg\n0.912670 0.587331 0.750000 Mg\n",
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{
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"updated_at": "2022-09-04T14:36:04.895467Z",
"structure_string": "Rb2 Na1 Pr1 F6\n1.0\n5.571222 0.000000 3.216546\n1.857074 5.252599 3.216546\n-0.000000 0.000000 6.433093\nRb Na Pr F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.749999 0.750000 0.750001 Rb\n0.499999 0.500000 0.500001 Na\n0.000000 0.000000 0.000000 Pr\n0.251914 0.251914 0.748086 F\n0.251913 0.748086 0.748086 F\n0.748085 0.748086 0.251915 F\n0.251913 0.748086 0.251915 F\n0.748086 0.251914 0.748086 F\n0.748086 0.251914 0.251915 F\n",
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{
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"created_at": "2022-09-04T14:35:57.969280Z",
"updated_at": "2022-09-04T14:35:57.969304Z",
"structure_string": "Ba4 Zn1 Sb1\n1.0\n0.000000 5.006421 5.006421\n5.006421 -0.000000 5.006421\n5.006421 5.006421 0.000000\nBa Zn Sb\n4 1 1\ndirect\n0.129257 0.623581 0.623581 Ba\n0.623581 0.623581 0.623581 Ba\n0.623581 0.129257 0.623581 Ba\n0.623581 0.623581 0.129257 Ba\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Sb\n",
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"volume": 250.96438740669583,
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"formula_full": "Ba4 Zn1 Sb1",
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},
{
"id": "jvasp-85302",
"created_at": "2022-09-04T14:35:58.033138Z",
"updated_at": "2022-09-04T14:35:58.033150Z",
"structure_string": "K4 Sn2 Br12\n1.0\n7.548836 0.000000 0.000000\n0.000000 7.373200 -0.047778\n0.000000 -0.035262 10.489974\nK Sn Br\n4 2 12\ndirect\n0.437386 0.981725 0.251921 K\n0.062614 0.481725 0.751921 K\n0.937386 0.518275 0.248078 K\n0.562615 0.018275 0.748078 K\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 Sn\n0.701640 0.790292 0.462215 Br\n-0.002718 0.928927 0.752324 Br\n0.201640 0.709708 0.037785 Br\n0.298360 0.209708 0.537785 Br\n0.497282 0.571074 0.747675 Br\n0.002718 0.071074 0.247675 Br\n0.289533 0.199682 0.968984 Br\n0.710468 0.800319 0.031015 Br\n0.210467 0.699681 0.468984 Br\n0.502718 0.428927 0.252324 Br\n0.789533 0.300319 0.531015 Br\n0.798360 0.290292 0.962215 Br\n",
"nsites": 18,
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"elements": [
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"density": 3.8471327622544567,
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"volume": 583.8495589525152,
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"formula_full": "K4 Sn2 Br12",
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"spacegroup": 14
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{
"id": "jvasp-91894",
"created_at": "2022-09-04T14:35:58.109909Z",
"updated_at": "2022-09-04T14:35:58.109925Z",
"structure_string": "Rb1 Mg7\n1.0\n7.023895 -0.000000 0.000000\n-3.511948 6.082871 -0.000000\n0.000000 -0.000000 5.294681\nRb Mg\n1 7\ndirect\n0.166667 0.333333 0.250000 Rb\n0.174511 0.837255 0.250000 Mg\n0.662745 0.325488 0.250000 Mg\n0.662745 0.837255 0.250000 Mg\n0.352148 0.147852 0.750000 Mg\n0.352148 0.704296 0.750000 Mg\n0.795704 0.147852 0.750000 Mg\n0.833333 0.666667 0.750000 Mg\n",
"nsites": 8,
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{
"id": "jvasp-74169",
"created_at": "2022-09-04T14:35:58.123442Z",
"updated_at": "2022-09-04T14:35:58.123451Z",
"structure_string": "K2 Be1 Zn1\n1.0\n5.760468 0.000000 0.000000\n0.000000 5.760468 0.000000\n0.000000 -0.000000 4.061384\nK Be Zn\n2 1 1\ndirect\n0.500000 0.000000 0.000000 K\n0.000000 0.500000 0.000000 K\n0.000000 0.000000 0.500000 Be\n0.500000 0.500000 0.500000 Zn\n",
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{
"id": "jvasp-15087",
"created_at": "2022-09-04T14:35:52.585829Z",
"updated_at": "2022-09-04T14:35:52.585856Z",
"structure_string": "Ca1 Tl1\n1.0\n3.850150 0.000000 0.000000\n0.000000 3.850150 0.000000\n-0.000000 -0.000000 3.850150\nCa Tl\n1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Tl\n",
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"volume": 57.07329538487838,
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"formula_full": "Ca1 Tl1",
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"spacegroup": 221
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{
"id": "jvasp-87957",
"created_at": "2022-09-04T14:35:52.480567Z",
"updated_at": "2022-09-04T14:35:52.480585Z",
"structure_string": "Tl8 Hg2 I12\n1.0\n9.305157 -0.000000 0.000000\n-0.000000 9.440187 0.000000\n0.000000 0.000000 9.440187\nTl Hg I\n8 2 12\ndirect\n0.250000 0.351978 0.851978 Tl\n0.250000 0.851978 0.648023 Tl\n0.250000 0.648023 0.148022 Tl\n0.750000 0.648023 0.148022 Tl\n0.750000 0.851978 0.648023 Tl\n0.750000 0.148022 0.351978 Tl\n0.750000 0.351978 0.851978 Tl\n0.250000 0.148022 0.351978 Tl\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Hg\n0.204468 0.500000 0.500000 I\n0.500000 0.358365 0.171488 I\n0.795532 0.500000 0.500000 I\n0.000000 0.328513 0.141635 I\n0.000000 0.858365 0.328513 I\n0.000000 0.141635 0.671488 I\n0.000000 0.671488 0.858365 I\n0.500000 0.828513 0.358365 I\n0.500000 0.171488 0.641636 I\n0.500000 0.641636 0.828513 I\n0.704468 0.000000 0.000000 I\n0.295532 0.000000 0.000000 I\n",
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"formula_full": "Tl8 Hg2 I12",
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"spacegroup": 128
},
{
"id": "jvasp-105628",
"created_at": "2022-09-04T14:35:52.459768Z",
"updated_at": "2022-09-04T14:35:52.459795Z",
"structure_string": "K3 Sc1 I6\n1.0\n7.473072 0.000000 4.314580\n2.491024 7.045680 4.314580\n0.000000 -0.000000 8.629161\nK Sc I\n3 1 6\ndirect\n0.749999 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Sc\n0.765674 0.234326 0.234326 I\n0.234325 0.234326 0.765674 I\n0.234325 0.765674 0.765675 I\n0.234325 0.765674 0.234326 I\n0.765674 0.234326 0.765675 I\n0.765674 0.765674 0.234326 I\n",
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{
"id": "jvasp-105867",
"created_at": "2022-09-04T14:36:04.523840Z",
"updated_at": "2022-09-04T14:36:04.523869Z",
"structure_string": "Th1 Mg1 Hg2\n1.0\n4.502280 -0.000000 2.599392\n1.500760 4.244789 2.599392\n0.000000 0.000000 5.198784\nTh Mg Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.500000 0.500000 0.499999 Mg\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.749999 Hg\n",
"nsites": 4,
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"volume": 99.35514956438338,
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{
"id": "jvasp-64209",
"created_at": "2022-09-04T14:36:04.979338Z",
"updated_at": "2022-09-04T14:36:04.979358Z",
"structure_string": "Ba4 Mg1 Se1\n1.0\n-0.000000 5.067230 5.067230\n5.067230 -0.000000 5.067230\n5.067230 5.067230 0.000000\nBa Mg Se\n4 1 1\ndirect\n0.120989 0.626337 0.626337 Ba\n0.626337 0.626337 0.626337 Ba\n0.626337 0.120989 0.626337 Ba\n0.626337 0.626337 0.120989 Ba\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Se\n",
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{
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"structure_string": "Ba1 Na1 Te1\n1.0\n0.000000 4.007296 4.007296\n4.007296 0.000000 4.007296\n4.007296 4.007296 -0.000000\nBa Na Te\n1 1 1\ndirect\n0.750001 0.750001 0.750001 Ba\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Te\n",
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}