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{
"id": "jvasp-102421",
"created_at": "2022-09-04T14:36:42.592800Z",
"updated_at": "2022-09-04T14:36:42.592826Z",
"structure_string": "K2 Rb1 Pr1 I6\n1.0\n7.937901 -0.000000 4.582949\n2.645967 7.483925 4.582949\n-0.000000 -0.000000 9.165898\nK Rb Pr 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 Rb\n0.000000 0.000000 0.000000 Pr\n0.760522 0.239478 0.239478 I\n0.239478 0.239478 0.760522 I\n0.239479 0.760521 0.760522 I\n0.239479 0.760521 0.239478 I\n0.760522 0.239478 0.760522 I\n0.760522 0.760521 0.239478 I\n",
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{
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{
"id": "jvasp-10242",
"created_at": "2022-09-04T14:37:32.519502Z",
"updated_at": "2022-09-04T14:37:32.519527Z",
"structure_string": "Tl6 Sb2 S8\n1.0\n6.330501 0.114263 -0.015890\n-1.662343 6.177237 -0.015775\n-1.823724 -1.631005 11.591397\nTl Sb S\n6 2 8\ndirect\n0.496955 0.523416 0.494609 Tl\n0.216198 0.682202 0.201396 Tl\n0.040228 0.969432 0.484170 Tl\n0.977854 -0.006635 -0.000200 Tl\n0.321025 0.810678 0.777387 Tl\n0.559375 0.499553 0.978977 Tl\n0.832026 0.275807 0.732044 Sb\n0.705185 0.217080 0.246731 Sb\n0.078977 0.196558 0.262771 S\n0.545545 0.040007 0.392852 S\n0.832603 0.903053 0.715296 S\n0.458249 0.296320 0.716002 S\n-0.008331 0.452884 0.585924 S\n0.505827 0.045128 0.057346 S\n0.704611 0.589846 0.263475 S\n0.031379 0.447763 0.921420 S\n",
"nsites": 16,
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"elements": [
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"Sb",
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],
"chemical_system": "S-Sb-Tl",
"density": 6.298932397818693,
"density_atomic": 0.03515697899150315,
"volume": 455.10167423278693,
"volume_molar": 17.129289639634425,
"formula_full": "Tl6 Sb2 S8",
"formula_reduced": "Tl3SbS4",
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{
"id": "jvasp-102419",
"created_at": "2022-09-04T14:36:42.206883Z",
"updated_at": "2022-09-04T14:36:42.206905Z",
"structure_string": "Rb3 Y1 Br6\n1.0\n7.266542 -0.000000 4.195340\n2.422181 6.850962 4.195340\n-0.000000 -0.000000 8.390680\nRb Y Br\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Y\n0.766564 0.233436 0.233436 Br\n0.233436 0.233436 0.766564 Br\n0.233436 0.766564 0.766564 Br\n0.233436 0.766564 0.233436 Br\n0.766564 0.233436 0.766564 Br\n0.766564 0.766564 0.233436 Br\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Br-Rb-Y",
"density": 3.2785823474967164,
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"volume": 417.71157042757665,
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"formula_full": "Rb3 Y1 Br6",
"formula_reduced": "Rb3YBr6",
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{
"id": "jvasp-102418",
"created_at": "2022-09-04T14:36:41.912178Z",
"updated_at": "2022-09-04T14:36:41.912188Z",
"structure_string": "Rb2 In2 Cl6\n1.0\n6.674939 -0.000000 3.853778\n2.224980 6.293192 3.853778\n0.000000 -0.000000 7.707555\nRb In Cl\n2 2 6\ndirect\n0.750000 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500001 In\n0.000000 0.000000 0.000000 In\n0.766257 0.233743 0.233744 Cl\n0.233743 0.233743 0.766257 Cl\n0.233743 0.766257 0.766258 Cl\n0.233743 0.766257 0.233744 Cl\n0.766257 0.233743 0.766258 Cl\n0.766257 0.766257 0.233744 Cl\n",
"nsites": 10,
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"elements": [
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"volume": 323.76874032008163,
"volume_molar": 19.497809278954186,
"formula_full": "Rb2 In2 Cl6",
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"spacegroup": 225
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{
"id": "jvasp-102417",
"created_at": "2022-09-04T14:36:41.588923Z",
"updated_at": "2022-09-04T14:36:41.588938Z",
"structure_string": "Rb2 Tl1 As1 Cl6\n1.0\n6.664411 -0.000000 3.847700\n2.221470 6.283267 3.847700\n-0.000000 -0.000000 7.695399\nRb Tl As Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 As\n0.769841 0.230159 0.230159 Cl\n0.230159 0.230159 0.769841 Cl\n0.230159 0.769841 0.769841 Cl\n0.230159 0.769841 0.230159 Cl\n0.769841 0.230159 0.769841 Cl\n0.769841 0.769841 0.230159 Cl\n",
"nsites": 10,
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"elements": [
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"As",
"Cl"
],
"chemical_system": "As-Cl-Rb-Tl",
"density": 3.416307942462049,
"density_atomic": 0.031032843407426253,
"volume": 322.2392440393319,
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"formula_full": "Rb2 Tl1 As1 Cl6",
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"formula_anonymous": "ABC2D6",
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{
"id": "jvasp-102416",
"created_at": "2022-09-04T14:36:47.280964Z",
"updated_at": "2022-09-04T14:36:47.280987Z",
"structure_string": "Rb2 Na1 Nd1 I6\n1.0\n7.508271 -0.000000 4.334902\n2.502757 7.078866 4.334902\n-0.000000 -0.000000 8.669805\nRb Na Nd I\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.499999 Na\n0.000000 0.000000 0.000000 Nd\n0.748807 0.251193 0.251193 I\n0.251193 0.251193 0.748806 I\n0.251193 0.748807 0.748806 I\n0.251193 0.748807 0.251192 I\n0.748807 0.251193 0.748806 I\n0.748807 0.748807 0.251192 I\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "I-Na-Nd-Rb",
"density": 3.9624935956802294,
"density_atomic": 0.021701364407587753,
"volume": 460.800519828309,
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"formula_full": "Rb2 Na1 Nd1 I6",
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{
"id": "jvasp-102415",
"created_at": "2022-09-04T14:36:45.678191Z",
"updated_at": "2022-09-04T14:36:45.678199Z",
"structure_string": "Rb2 Na1 Mo1 I6\n1.0\n7.182704 -0.000000 4.146936\n2.394235 6.771918 4.146936\n-0.000000 -0.000000 8.293872\nRb Na Mo I\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.499999 0.500000 0.500001 Na\n0.000000 0.000000 0.000000 Mo\n0.760866 0.239133 0.239134 I\n0.239133 0.239133 0.760867 I\n0.239133 0.760867 0.760867 I\n0.239133 0.760867 0.239134 I\n0.760866 0.239133 0.760867 I\n0.760866 0.760867 0.239134 I\n",
"nsites": 10,
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},
{
"id": "jvasp-102414",
"created_at": "2022-09-04T14:36:45.331588Z",
"updated_at": "2022-09-04T14:36:45.331607Z",
"structure_string": "Rb2 Li1 Mo1 Br6\n1.0\n6.492559 -0.000000 3.748481\n2.164186 6.121244 3.748481\n-0.000000 -0.000000 7.496962\nRb Li Mo Br\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Mo\n0.754274 0.245726 0.245726 Br\n0.245727 0.245726 0.754273 Br\n0.245727 0.754273 0.754273 Br\n0.245727 0.754273 0.245726 Br\n0.754274 0.245726 0.754273 Br\n0.754274 0.754273 0.245726 Br\n",
"nsites": 10,
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"elements": [
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],
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{
"id": "jvasp-102413",
"created_at": "2022-09-04T14:36:46.090338Z",
"updated_at": "2022-09-04T14:36:46.090357Z",
"structure_string": "K1 Rb2 Ir1 F6\n1.0\n5.499080 -0.000000 3.174895\n1.833027 5.184582 3.174895\n-0.000000 -0.000000 6.349791\nK Rb Ir F\n1 2 1 6\ndirect\n0.500000 0.500000 0.500001 K\n0.750001 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Ir\n0.773776 0.226225 0.226225 F\n0.226225 0.226225 0.773776 F\n0.226225 0.773775 0.773776 F\n0.226225 0.773775 0.226225 F\n0.773776 0.226225 0.773776 F\n0.773776 0.773775 0.226226 F\n",
"nsites": 10,
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],
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{
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"created_at": "2022-09-04T14:36:44.724244Z",
"updated_at": "2022-09-04T14:36:44.724261Z",
"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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"created_at": "2022-09-04T14:36:45.378037Z",
"updated_at": "2022-09-04T14:36:45.378055Z",
"structure_string": "Na2 In1 Hg1 Br6\n1.0\n6.843647 -0.000000 3.951181\n2.281216 6.452252 3.951181\n-0.000000 -0.000000 7.902363\nNa In Hg Br\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 In\n0.500001 0.500000 0.499999 Hg\n0.755818 0.244183 0.244182 Br\n0.244183 0.244183 0.755817 Br\n0.244184 0.755817 0.755816 Br\n0.244184 0.755817 0.244182 Br\n0.755818 0.244183 0.755816 Br\n0.755818 0.755817 0.244182 Br\n",
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}
]
}