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{
"id": "jvasp-107837",
"created_at": "2022-09-04T14:36:44.542381Z",
"updated_at": "2022-09-04T14:36:44.542400Z",
"structure_string": "Na2 Li1 Sb1 Cl6\n1.0\n6.250371 -0.000000 3.608653\n2.083457 5.892906 3.608653\n-0.000000 -0.000000 7.217306\nNa Li Sb Cl\n2 1 1 6\ndirect\n0.750000 0.750001 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Sb\n0.742465 0.257536 0.257535 Cl\n0.257535 0.257536 0.742465 Cl\n0.257536 0.742465 0.742464 Cl\n0.257536 0.742465 0.257535 Cl\n0.742465 0.257536 0.742464 Cl\n0.742465 0.742465 0.257535 Cl\n",
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{
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"structure_string": "Rb2 Ga1 Au1 I6\n1.0\n7.096423 0.000000 4.097122\n2.365474 6.690572 4.097122\n-0.000000 0.000000 8.194243\nRb Ga Au I\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Au\n0.751055 0.248945 0.248945 I\n0.248944 0.248945 0.751055 I\n0.248944 0.751055 0.751055 I\n0.248944 0.751055 0.248945 I\n0.751055 0.248945 0.751055 I\n0.751055 0.751055 0.248945 I\n",
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{
"id": "jvasp-106671",
"created_at": "2022-09-04T14:36:44.483277Z",
"updated_at": "2022-09-04T14:36:44.483304Z",
"structure_string": "Ba2 Pu1 Zn1 O6\n1.0\n5.147008 -0.000000 2.971626\n1.715669 4.852645 2.971626\n-0.000000 -0.000000 5.943252\nBa Pu Zn O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750001 0.750000 Ba\n0.500000 0.500000 0.500000 Pu\n0.000000 0.000000 0.000000 Zn\n0.746977 0.253024 0.253024 O\n0.253023 0.746977 0.746977 O\n0.253023 0.746977 0.253024 O\n0.746977 0.253024 0.746977 O\n0.253024 0.253024 0.746976 O\n0.746977 0.746977 0.253024 O\n",
"nsites": 10,
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],
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"density_atomic": 0.0673662682499569,
"volume": 148.4422435705632,
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"formula_full": "Ba2 Pu1 Zn1 O6",
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"spacegroup": 225
},
{
"id": "jvasp-106461",
"created_at": "2022-09-04T14:36:43.136342Z",
"updated_at": "2022-09-04T14:36:43.136366Z",
"structure_string": "Rb2 Na1 Sm1 Cl6\n1.0\n6.548246 -0.000000 3.780632\n2.182749 6.173746 3.780632\n-0.000000 -0.000000 7.561263\nRb Na Sm Cl\n2 1 1 6\ndirect\n0.750000 0.750001 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.499999 Na\n0.000000 0.000000 0.000000 Sm\n0.750047 0.249953 0.249953 Cl\n0.249953 0.249953 0.750046 Cl\n0.249953 0.750047 0.750046 Cl\n0.249953 0.750047 0.249953 Cl\n0.750047 0.249953 0.750046 Cl\n0.750047 0.750047 0.249952 Cl\n",
"nsites": 10,
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"elements": [
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],
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"density_atomic": 0.03271386910877912,
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{
"id": "jvasp-102265",
"created_at": "2022-09-04T14:36:44.475207Z",
"updated_at": "2022-09-04T14:36:44.475217Z",
"structure_string": "K1 Rb2 Sc1 Cl6\n1.0\n6.585047 -0.000000 3.801879\n2.195016 6.208442 3.801879\n-0.000000 -0.000000 7.603757\nK Rb Sc Cl\n1 2 1 6\ndirect\n0.500001 0.500000 0.500000 K\n0.750001 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Sc\n0.769599 0.230402 0.230402 Cl\n0.230402 0.230402 0.769599 Cl\n0.230402 0.769598 0.769599 Cl\n0.230402 0.769598 0.230402 Cl\n0.769599 0.230402 0.769599 Cl\n0.769599 0.769598 0.230402 Cl\n",
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{
"id": "jvasp-58177",
"created_at": "2022-09-04T14:36:44.470748Z",
"updated_at": "2022-09-04T14:36:44.470776Z",
"structure_string": "Mg4 Mn2 Ir2 O12\n1.0\n0.000000 5.044890 0.023466\n5.253766 0.000000 0.000000\n0.000000 -4.977901 -7.442321\nMg Mn Ir O\n4 2 2 12\ndirect\n0.239986 0.939254 0.251053 Mg\n0.760014 0.439254 0.248947 Mg\n0.239986 0.560747 0.751053 Mg\n0.760014 0.060747 0.748947 Mg\n0.000000 0.500000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 0.500000 0.500000 Ir\n0.500000 0.000000 -0.000000 Ir\n0.101087 0.806488 0.927706 O\n0.248431 0.322174 0.933863 O\n0.898913 0.306488 0.572293 O\n0.623028 0.069505 0.256256 O\n0.376972 0.930495 0.743744 O\n0.898913 0.193513 0.072293 O\n0.751568 0.677827 0.066136 O\n0.248431 0.177826 0.433863 O\n0.751568 0.822174 0.566136 O\n0.623028 0.430495 0.756256 O\n0.101087 0.693513 0.427706 O\n0.376972 0.569506 0.243744 O\n",
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"formula_full": "Mg4 Mn2 Ir2 O12",
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{
"id": "jvasp-103753",
"created_at": "2022-09-04T14:36:55.433610Z",
"updated_at": "2022-09-04T14:36:55.433619Z",
"structure_string": "Li1 Co2 Cu1 O6\n1.0\n6.138135 -0.017645 1.270537\n5.506399 2.712303 1.270537\n-0.245451 -0.056800 5.853658\nLi Co Cu O\n1 2 1 6\ndirect\n0.000000 0.000000 0.000000 Li\n0.682248 0.682244 0.181968 Co\n0.317755 0.317753 0.818033 Co\n0.000000 -0.000000 0.500000 Cu\n0.192752 0.192751 0.372782 O\n0.474458 0.474454 0.727486 O\n0.832278 0.832273 0.034403 O\n0.525546 0.525543 0.272515 O\n0.807252 0.807247 0.627219 O\n0.167726 0.167725 0.965598 O\n",
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"density_atomic": 0.10109158647568091,
"volume": 98.92020046995354,
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"formula_full": "Li1 Co2 Cu1 O6",
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},
{
"id": "jvasp-107417",
"created_at": "2022-09-04T14:36:57.608897Z",
"updated_at": "2022-09-04T14:36:57.608907Z",
"structure_string": "Rb2 Ce1 Ag1 Br6\n1.0\n6.959975 -0.000000 4.018343\n2.319992 6.561927 4.018343\n-0.000000 -0.000000 8.036686\nRb Ce Ag Br\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.499999 0.500000 0.500000 Ce\n0.000000 0.000000 0.000000 Ag\n0.753050 0.246950 0.246950 Br\n0.246950 0.246950 0.753050 Br\n0.246949 0.753050 0.753050 Br\n0.246949 0.753050 0.246950 Br\n0.753050 0.246950 0.753050 Br\n0.753049 0.753050 0.246950 Br\n",
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{
"id": "jvasp-100925",
"created_at": "2022-09-04T14:36:44.490202Z",
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"structure_string": "Na2 Li1 In1 Cl6\n1.0\n6.107886 -0.000000 3.526390\n2.035962 5.758570 3.526390\n-0.000000 0.000000 7.052779\nNa Li In Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 In\n0.748233 0.251768 0.251767 Cl\n0.251768 0.251768 0.748233 Cl\n0.251767 0.748232 0.748233 Cl\n0.251767 0.748232 0.251768 Cl\n0.748233 0.251768 0.748232 Cl\n0.748233 0.748232 0.251768 Cl\n",
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"density_atomic": 0.04031198201744223,
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{
"id": "jvasp-102400",
"created_at": "2022-09-04T14:36:42.547567Z",
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"structure_string": "Rb2 Tl1 Ag1 Cl6\n1.0\n6.444530 -0.000000 3.720751\n2.148177 6.075961 3.720751\n-0.000000 -0.000000 7.441502\nRb Tl Ag Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Ag\n0.748594 0.251406 0.251406 Cl\n0.251407 0.251406 0.748593 Cl\n0.251407 0.748593 0.748593 Cl\n0.251407 0.748593 0.251406 Cl\n0.748594 0.251406 0.748593 Cl\n0.748594 0.748593 0.251406 Cl\n",
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{
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"created_at": "2022-09-04T14:36:44.724244Z",
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"structure_string": "K1 Rb2 Al1 F6\n1.0\n5.312682 -0.000000 3.067278\n1.770894 5.008844 3.067278\n-0.000000 -0.000000 6.134557\nK Rb Al F\n1 2 1 6\ndirect\n0.500000 0.500000 0.500001 K\n0.749999 0.749999 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Al\n0.788922 0.211077 0.211078 F\n0.211077 0.211077 0.788923 F\n0.211077 0.788922 0.788924 F\n0.211077 0.788922 0.211079 F\n0.788922 0.211077 0.788923 F\n0.788922 0.788922 0.211079 F\n",
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{
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}