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{
"id": "jvasp-101416",
"created_at": "2022-09-04T14:36:53.662995Z",
"updated_at": "2022-09-04T14:36:53.663015Z",
"structure_string": "Tl1 Zn3\n1.0\n4.303371 -0.000000 -0.000000\n-0.000000 4.303371 -0.000000\n-0.000000 -0.000000 4.303371\nTl Zn\n1 3\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.000000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.000000 0.500000 0.500000 Zn\n",
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{
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"structure_string": "Rb2 Ag1 Au1 Cl6\n1.0\n6.249514 0.000000 3.608159\n2.083171 5.892099 3.608159\n0.000000 -0.000000 7.216318\nRb Ag Au Cl\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Au\n0.751795 0.248204 0.248205 Cl\n0.248204 0.248204 0.751796 Cl\n0.248204 0.751796 0.751796 Cl\n0.248204 0.751796 0.248205 Cl\n0.751795 0.248204 0.751796 Cl\n0.751795 0.751796 0.248205 Cl\n",
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{
"id": "jvasp-106548",
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"structure_string": "Li1 Al1 Zn2\n1.0\n3.818795 0.000000 2.204782\n1.272932 3.600394 2.204782\n0.000000 0.000000 4.409565\nLi Al Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.499999 0.499999 0.500000 Al\n0.250000 0.250000 0.250000 Zn\n0.749999 0.749999 0.749999 Zn\n",
"nsites": 4,
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{
"id": "jvasp-106903",
"created_at": "2022-09-04T14:36:46.639658Z",
"updated_at": "2022-09-04T14:36:46.639681Z",
"structure_string": "K2 Rb1 Al1 Cl6\n1.0\n6.513856 -0.000000 3.760777\n2.171285 6.141323 3.760777\n-0.000000 -0.000000 7.521554\nK Rb Al Cl\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500001 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Al\n0.781258 0.218742 0.218742 Cl\n0.218743 0.218742 0.781258 Cl\n0.218743 0.781257 0.781258 Cl\n0.218743 0.781257 0.218742 Cl\n0.781258 0.218742 0.781258 Cl\n0.781259 0.781257 0.218742 Cl\n",
"nsites": 10,
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"density_atomic": 0.033234743336916096,
"volume": 300.8899421495552,
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"formula_full": "K2 Rb1 Al1 Cl6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
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{
"id": "jvasp-31981",
"created_at": "2022-09-04T14:36:46.541446Z",
"updated_at": "2022-09-04T14:36:46.541471Z",
"structure_string": "In6 I24\n1.0\n11.630482 -0.000000 6.714861\n3.876827 10.965322 6.714861\n0.000000 0.000000 13.429723\nIn I\n6 24\ndirect\n0.250000 0.250000 0.750000 In\n0.250000 0.750000 0.250000 In\n0.750000 0.250000 0.250000 In\n0.250000 0.750000 0.750000 In\n0.750000 0.750000 0.250000 In\n0.750000 0.250000 0.750000 In\n0.298251 0.701749 0.049690 I\n0.049691 0.950309 0.298251 I\n0.298251 0.049690 0.950309 I\n0.701749 0.049690 0.298251 I\n0.298251 0.950309 0.701749 I\n0.950310 0.298251 0.049690 I\n0.049690 0.298251 0.701749 I\n0.701749 0.950309 0.049690 I\n0.701749 0.298251 0.950309 I\n0.049691 0.701749 0.950309 I\n0.450310 0.798251 0.201749 I\n0.201749 0.549690 0.450310 I\n0.201749 0.450310 0.798251 I\n0.950310 0.049690 0.701749 I\n0.798251 0.201749 0.450310 I\n0.450310 0.549690 0.798251 I\n0.549690 0.450310 0.201749 I\n0.201749 0.798251 0.549690 I\n0.798251 0.450310 0.549690 I\n0.798251 0.549690 0.201749 I\n0.549690 0.798251 0.450309 I\n0.549690 0.201749 0.798251 I\n0.450310 0.201749 0.549690 I\n0.950310 0.701749 0.298251 I\n",
"nsites": 30,
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{
"id": "jvasp-101523",
"created_at": "2022-09-04T14:36:42.336681Z",
"updated_at": "2022-09-04T14:36:42.336706Z",
"structure_string": "K1 Rb2 As1 Br6\n1.0\n6.969442 -0.000000 4.023809\n2.323147 6.570853 4.023809\n-0.000000 -0.000000 8.047619\nK Rb As Br\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 As\n0.766737 0.233263 0.233263 Br\n0.233263 0.233263 0.766737 Br\n0.233264 0.766736 0.766737 Br\n0.233264 0.766736 0.233263 Br\n0.766737 0.233263 0.766737 Br\n0.766737 0.766736 0.233263 Br\n",
"nsites": 10,
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"elements": [
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"density": 3.444062004565772,
"density_atomic": 0.02713393829221003,
"volume": 368.5421516150102,
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"formula_full": "K1 Rb2 As1 Br6",
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"spacegroup": 225
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{
"id": "jvasp-107629",
"created_at": "2022-09-04T14:36:53.517151Z",
"updated_at": "2022-09-04T14:36:53.517170Z",
"structure_string": "Rb2 Na1 Ce1 Cl6\n1.0\n6.612371 -0.000000 3.817654\n2.204124 6.234203 3.817654\n-0.000000 -0.000000 7.635308\nRb Na Ce 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 Na\n0.000000 0.000000 0.000000 Ce\n0.747674 0.252326 0.252326 Cl\n0.252326 0.252326 0.747674 Cl\n0.252326 0.747674 0.747674 Cl\n0.252326 0.747674 0.252326 Cl\n0.747674 0.252326 0.747674 Cl\n0.747674 0.747674 0.252325 Cl\n",
"nsites": 10,
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"density": 2.8845669169043884,
"density_atomic": 0.03177132206095697,
"volume": 314.7492566036074,
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"formula_full": "Rb2 Na1 Ce1 Cl6",
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"formula_anonymous": "ABC2D6",
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{
"id": "jvasp-79380",
"created_at": "2022-09-04T14:36:42.333373Z",
"updated_at": "2022-09-04T14:36:42.333395Z",
"structure_string": "Yb2 Hg1 Bi1\n1.0\n-0.000000 3.826631 3.826631\n3.826631 -0.000000 3.826631\n3.826631 3.826631 -0.000000\nYb Hg Bi\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Yb\n0.750000 0.750000 0.750000 Hg\n0.249999 0.249999 0.249999 Bi\n",
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],
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"volume": 112.06751760562238,
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},
{
"id": "jvasp-106905",
"created_at": "2022-09-04T14:36:53.512001Z",
"updated_at": "2022-09-04T14:36:53.512021Z",
"structure_string": "Na3 Sb1 Cl6\n1.0\n6.461020 -0.000000 3.730272\n2.153673 6.091508 3.730272\n-0.000000 -0.000000 7.460543\nNa Sb Cl\n3 1 6\ndirect\n0.750000 0.750000 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Sb\n0.750429 0.249571 0.249571 Cl\n0.249571 0.249571 0.750428 Cl\n0.249571 0.750429 0.750428 Cl\n0.249571 0.750429 0.249571 Cl\n0.750429 0.249571 0.750428 Cl\n0.750428 0.750429 0.249571 Cl\n",
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},
{
"id": "jvasp-107397",
"created_at": "2022-09-04T14:36:53.512665Z",
"updated_at": "2022-09-04T14:36:53.512686Z",
"structure_string": "K1 Na2 Ru1 F6\n1.0\n5.406358 -0.000000 3.121362\n1.802119 5.097163 3.121362\n-0.000000 -0.000000 6.242724\nK Na Ru F\n1 2 1 6\ndirect\n0.500000 0.500000 0.499999 K\n0.750001 0.750000 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Ru\n0.773631 0.226369 0.226369 F\n0.226369 0.226369 0.773630 F\n0.226370 0.773630 0.773630 F\n0.226370 0.773630 0.226369 F\n0.773631 0.226369 0.773630 F\n0.773631 0.773630 0.226369 F\n",
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{
"id": "jvasp-104798",
"created_at": "2022-09-04T14:36:46.576362Z",
"updated_at": "2022-09-04T14:36:46.576382Z",
"structure_string": "K2 Li1 Pr1 Cl6\n1.0\n6.392960 -0.000000 3.690977\n2.130987 6.027341 3.690977\n-0.000000 -0.000000 7.381955\nK Li Pr Cl\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 Pr\n0.739303 0.260697 0.260698 Cl\n0.260698 0.260697 0.739302 Cl\n0.260698 0.739303 0.739302 Cl\n0.260698 0.739303 0.260697 Cl\n0.739303 0.260697 0.739302 Cl\n0.739303 0.739303 0.260698 Cl\n",
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{
"id": "jvasp-104801",
"created_at": "2022-09-04T14:36:53.793969Z",
"updated_at": "2022-09-04T14:36:53.793991Z",
"structure_string": "K3 Er1 Cl6\n1.0\n6.713058 -0.000000 3.875786\n2.237686 6.329131 3.875786\n-0.000000 -0.000000 7.751571\nK Er Cl\n3 1 6\ndirect\n0.750001 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500001 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Er\n0.763869 0.236131 0.236132 Cl\n0.236132 0.236131 0.763869 Cl\n0.236132 0.763868 0.763869 Cl\n0.236132 0.763868 0.236132 Cl\n0.763869 0.236131 0.763869 Cl\n0.763869 0.763868 0.236132 Cl\n",
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}
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}