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{
"id": "jvasp-102054",
"created_at": "2022-09-04T14:36:59.215843Z",
"updated_at": "2022-09-04T14:36:59.215862Z",
"structure_string": "Rb3 Ga1 Br6\n1.0\n6.967025 0.000000 4.022414\n2.322341 6.568575 4.022414\n-0.000000 -0.000000 8.044828\nRb Ga Br\n3 1 6\ndirect\n0.750001 0.749999 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Ga\n0.776274 0.223727 0.223726 Br\n0.223727 0.223727 0.776273 Br\n0.223727 0.776272 0.776273 Br\n0.223727 0.776272 0.223727 Br\n0.776274 0.223727 0.776272 Br\n0.776274 0.776272 0.223726 Br\n",
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{
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"structure_string": "Sc2 Pt1 Rh1\n1.0\n3.990119 -0.000000 2.303696\n1.330040 3.761921 2.303696\n-0.000000 -0.000000 4.607393\nSc Pt Rh\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sc\n0.750000 0.750000 0.750001 Sc\n0.500000 0.500000 0.500000 Pt\n0.000000 0.000000 0.000000 Rh\n",
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{
"id": "jvasp-102366",
"created_at": "2022-09-04T14:36:59.089120Z",
"updated_at": "2022-09-04T14:36:59.089146Z",
"structure_string": "K3 Pr1 Cl6\n1.0\n6.900229 -0.000000 3.983849\n2.300076 6.505599 3.983849\n-0.000000 -0.000000 7.967699\nK Pr Cl\n3 1 6\ndirect\n0.750000 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 Pr\n0.757778 0.242222 0.242222 Cl\n0.242222 0.242222 0.757778 Cl\n0.242222 0.757778 0.757778 Cl\n0.242222 0.757778 0.242222 Cl\n0.757778 0.242222 0.757778 Cl\n0.757778 0.757778 0.242222 Cl\n",
"nsites": 10,
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"elements": [
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"density": 2.186316471082788,
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"volume": 357.670987198151,
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"formula_full": "K3 Pr1 Cl6",
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"spacegroup": 225
},
{
"id": "jvasp-107107",
"created_at": "2022-09-04T14:36:59.216320Z",
"updated_at": "2022-09-04T14:36:59.216339Z",
"structure_string": "K2 Li1 Sb1 Cl6\n1.0\n6.291674 -0.000000 3.632500\n2.097225 5.931847 3.632500\n-0.000000 -0.000000 7.264999\nK Li Sb Cl\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.499999 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Sb\n0.743191 0.256809 0.256809 Cl\n0.256808 0.256809 0.743192 Cl\n0.256808 0.743192 0.743192 Cl\n0.256808 0.743192 0.256809 Cl\n0.743191 0.256809 0.743192 Cl\n0.743190 0.743192 0.256809 Cl\n",
"nsites": 10,
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"elements": [
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"Cl"
],
"chemical_system": "Cl-K-Li-Sb",
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"density_atomic": 0.03688147560762838,
"volume": 271.1388260704962,
"volume_molar": 16.328361760976858,
"formula_full": "K2 Li1 Sb1 Cl6",
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{
"id": "jvasp-105162",
"created_at": "2022-09-04T14:36:59.357403Z",
"updated_at": "2022-09-04T14:36:59.357420Z",
"structure_string": "Er2 Ag1 Hg1\n1.0\n4.438180 -0.000000 2.562385\n1.479393 4.184357 2.562385\n-0.000000 -0.000000 5.124769\nEr Ag Hg\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Er\n0.749999 0.750001 0.749999 Er\n0.499999 0.500000 0.499999 Ag\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
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],
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{
"id": "jvasp-107422",
"created_at": "2022-09-04T14:36:59.421502Z",
"updated_at": "2022-09-04T14:36:59.421529Z",
"structure_string": "Rb3 As1 Cl6\n1.0\n6.745580 -0.000000 3.894562\n2.248527 6.359794 3.894562\n-0.000000 -0.000000 7.789125\nRb As Cl\n3 1 6\ndirect\n0.750001 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.499999 Rb\n0.000000 0.000000 0.000000 As\n0.772960 0.227040 0.227040 Cl\n0.227040 0.227040 0.772959 Cl\n0.227041 0.772959 0.772959 Cl\n0.227041 0.772959 0.227040 Cl\n0.772960 0.227040 0.772959 Cl\n0.772960 0.772959 0.227039 Cl\n",
"nsites": 10,
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"elements": [
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"density_atomic": 0.029926021297072485,
"volume": 334.1573509131416,
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{
"id": "jvasp-104496",
"created_at": "2022-09-04T14:36:59.241166Z",
"updated_at": "2022-09-04T14:36:59.241181Z",
"structure_string": "Rb2 Hg1 Bi1 I6\n1.0\n7.535893 -0.000000 4.350850\n2.511964 7.104908 4.350850\n-0.000000 -0.000000 8.701700\nRb Hg Bi I\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 Hg\n0.000000 0.000000 0.000000 Bi\n0.750213 0.249787 0.249787 I\n0.249787 0.249787 0.750213 I\n0.249786 0.750213 0.750213 I\n0.249786 0.750213 0.249787 I\n0.750213 0.249787 0.750213 I\n0.750212 0.750213 0.249787 I\n",
"nsites": 10,
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"elements": [
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"density": 4.78280399747945,
"density_atomic": 0.021463607179877706,
"volume": 465.9049113317297,
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"formula_full": "Rb2 Hg1 Bi1 I6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
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{
"id": "jvasp-107469",
"created_at": "2022-09-04T14:36:59.312291Z",
"updated_at": "2022-09-04T14:36:59.312311Z",
"structure_string": "Pm2 Cd1 Ga1\n1.0\n4.578453 -0.000000 2.643371\n1.526151 4.316607 2.643371\n-0.000000 -0.000000 5.286742\nPm Cd Ga\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Pm\n0.749999 0.750001 0.750000 Pm\n0.499999 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
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],
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},
{
"id": "jvasp-107223",
"created_at": "2022-09-04T14:36:59.409173Z",
"updated_at": "2022-09-04T14:36:59.409192Z",
"structure_string": "Th1 Au3\n1.0\n4.326363 0.000000 2.497827\n1.442121 4.078934 2.497827\n-0.000000 -0.000000 4.995654\nTh Au\n1 3\ndirect\n0.000000 0.000000 0.000000 Th\n0.250000 0.250000 0.250000 Au\n0.750000 0.749999 0.750001 Au\n0.500000 0.500000 0.500001 Au\n",
"nsites": 4,
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},
{
"id": "jvasp-107102",
"created_at": "2022-09-04T14:36:59.414298Z",
"updated_at": "2022-09-04T14:36:59.414308Z",
"structure_string": "K2 Na1 As1 Br6\n1.0\n6.688941 -0.000000 3.861862\n2.229647 6.306394 3.861862\n-0.000000 -0.000000 7.723724\nK Na As Br\n2 1 1 6\ndirect\n0.750000 0.749999 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 As\n0.757363 0.242637 0.242636 Br\n0.242637 0.242637 0.757363 Br\n0.242637 0.757363 0.757363 Br\n0.242637 0.757363 0.242636 Br\n0.757363 0.242637 0.757363 Br\n0.757364 0.757363 0.242636 Br\n",
"nsites": 10,
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{
"id": "jvasp-100565",
"created_at": "2022-09-04T14:36:59.413795Z",
"updated_at": "2022-09-04T14:36:59.413816Z",
"structure_string": "Ba1 La1 Fe2 O6\n1.0\n4.778845 0.000000 2.759067\n1.592948 4.505538 2.759067\n0.000000 0.000000 5.518135\nBa La Fe O\n1 1 2 6\ndirect\n0.500001 0.500000 0.500001 Ba\n0.000000 0.000000 0.000000 La\n0.750001 0.750000 0.750001 Fe\n0.250000 0.250000 0.250000 Fe\n-0.000000 -0.000000 0.500000 O\n0.500001 0.500000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.500001 -0.000000 0.500000 O\n0.500001 -0.000000 0.000000 O\n0.000000 0.500000 0.500001 O\n",
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{
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"created_at": "2022-09-04T14:36:59.421142Z",
"updated_at": "2022-09-04T14:36:59.421166Z",
"structure_string": "K2 Li1 Ce1 I6\n1.0\n7.334394 -0.000000 4.234514\n2.444798 6.914933 4.234514\n-0.000000 -0.000000 8.469028\nK Li Ce I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Ce\n0.741851 0.258149 0.258149 I\n0.258149 0.258149 0.741851 I\n0.258149 0.741851 0.741851 I\n0.258149 0.741851 0.258149 I\n0.741851 0.258149 0.741851 I\n0.741851 0.741851 0.258148 I\n",
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}