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"results": [
{
"id": "jvasp-11461",
"created_at": "2022-09-04T14:37:28.951981Z",
"updated_at": "2022-09-04T14:37:28.952001Z",
"structure_string": "Rb4 Cu4 Sn2 S8\n1.0\n5.253833 0.000000 1.628506\n2.168148 8.831089 2.294316\n-0.027559 -0.067331 9.378038\nRb Cu Sn S\n4 4 2 8\ndirect\n0.228506 0.376104 0.623896 Rb\n0.728505 0.123896 0.876105 Rb\n0.271494 0.876104 0.123896 Rb\n0.771494 0.623896 0.376105 Rb\n0.250000 0.031457 0.468543 Cu\n0.750000 0.531457 0.968544 Cu\n0.750000 0.968543 0.531458 Cu\n0.250000 0.468543 0.031457 Cu\n0.750000 0.250000 0.250001 Sn\n0.250000 0.750000 0.750001 Sn\n0.415061 0.485655 0.223583 S\n0.624298 0.014345 0.276418 S\n0.875701 0.223582 0.485656 S\n0.084939 0.276418 0.014345 S\n0.375701 0.985655 0.723583 S\n0.584939 0.514345 0.776418 S\n0.124299 0.776418 0.514345 S\n0.915061 0.723583 0.985656 S\n",
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{
"id": "jvasp-25574",
"created_at": "2022-09-04T14:37:47.137572Z",
"updated_at": "2022-09-04T14:37:47.137601Z",
"structure_string": "Rb4 Cu1 Si2 O7\n1.0\n7.097849 0.388463 -0.345999\n-2.225713 5.875415 -0.281997\n-1.793943 -3.455769 6.444650\nRb Cu Si O\n4 1 2 7\ndirect\n0.638617 0.404170 0.724611 Rb\n0.361383 0.595828 0.275388 Rb\n0.767351 0.288187 0.224250 Rb\n0.232649 0.711811 0.775749 Rb\n0.000000 -0.000000 0.500000 Cu\n0.146505 0.005566 0.224050 Si\n-0.146504 -0.005566 0.775950 Si\n0.383091 0.030927 0.237324 O\n0.168065 0.250887 0.436520 O\n0.831936 0.749111 0.563479 O\n0.008916 0.247761 0.771892 O\n-0.008916 0.752238 0.228107 O\n0.616909 -0.030928 0.762676 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Cu-O-Rb-Si",
"density": 3.6450284036381286,
"density_atomic": 0.05357754710711897,
"volume": 261.303489165143,
"volume_molar": 11.240045663083043,
"formula_full": "Rb4 Cu1 Si2 O7",
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"formula_anonymous": "AB2C4D7",
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{
"id": "jvasp-99704",
"created_at": "2022-09-04T14:36:15.358348Z",
"updated_at": "2022-09-04T14:36:15.358370Z",
"structure_string": "Rb2 Cu1 Sb1 I6\n1.0\n7.152972 0.000000 4.129771\n2.384324 6.743887 4.129771\n-0.000000 -0.000000 8.259541\nRb Cu Sb 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 Cu\n0.000000 0.000000 0.000000 Sb\n0.741321 0.258679 0.258679 I\n0.258679 0.258679 0.741321 I\n0.258678 0.741321 0.741321 I\n0.258678 0.741321 0.258679 I\n0.741321 0.258679 0.741321 I\n0.741320 0.741321 0.258679 I\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Cu-I-Rb-Sb",
"density": 4.658105863865942,
"density_atomic": 0.02509847168883612,
"volume": 398.43063450146377,
"volume_molar": 23.994053640639272,
"formula_full": "Rb2 Cu1 Sb1 I6",
"formula_reduced": "Rb2CuSbI6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-105668",
"created_at": "2022-09-04T14:35:42.695671Z",
"updated_at": "2022-09-04T14:35:42.695694Z",
"structure_string": "Rb2 Cu1 Sb1 Cl6\n1.0\n6.312934 -0.000000 3.644774\n2.104312 5.951891 3.644774\n-0.000000 -0.000000 7.289548\nRb Cu Sb Cl\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Sb\n0.741346 0.258654 0.258654 Cl\n0.258654 0.258654 0.741346 Cl\n0.258653 0.741346 0.741346 Cl\n0.258653 0.741346 0.258653 Cl\n0.741346 0.258654 0.741346 Cl\n0.741346 0.741346 0.258653 Cl\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Cl-Cu-Rb-Sb",
"density": 3.4494011910142963,
"density_atomic": 0.03651011340203833,
"volume": 273.8967115736679,
"volume_molar": 16.494445507977492,
"formula_full": "Rb2 Cu1 Sb1 Cl6",
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"spacegroup": 225
},
{
"id": "jvasp-109242",
"created_at": "2022-09-04T14:37:59.561196Z",
"updated_at": "2022-09-04T14:37:59.561206Z",
"structure_string": "Rb2 Cu1 Sb1 Br6\n1.0\n6.659849 0.000000 3.845066\n2.219950 6.278966 3.845066\n0.000000 -0.000000 7.690131\nRb Cu Sb Br\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 Cu\n0.000000 0.000000 0.000000 Sb\n0.741045 0.258955 0.258956 Br\n0.258955 0.258955 0.741045 Br\n0.258955 0.741045 0.741045 Br\n0.258955 0.741045 0.258956 Br\n0.741045 0.258955 0.741045 Br\n0.741045 0.741045 0.258956 Br\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Br-Cu-Rb-Sb",
"density": 4.315144769590657,
"density_atomic": 0.031096660208620595,
"volume": 321.5779422263426,
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"formula_full": "Rb2 Cu1 Sb1 Br6",
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},
{
"id": "jvasp-110705",
"created_at": "2022-09-04T14:38:37.472165Z",
"updated_at": "2022-09-04T14:38:37.472190Z",
"structure_string": "Rb2 Cu1 Ru1 F6\n1.0\n5.147689 -0.000000 2.972019\n1.715896 4.853288 2.972019\n-0.000000 -0.000000 5.944039\nRb Cu Ru F\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 Cu\n0.000000 0.000000 0.000000 Ru\n0.755617 0.244383 0.244383 F\n0.244383 0.244383 0.755617 F\n0.244383 0.755618 0.755617 F\n0.244383 0.755618 0.244383 F\n0.755617 0.244383 0.755617 F\n0.755618 0.755618 0.244383 F\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Cu-F-Rb-Ru",
"density": 5.026774167793547,
"density_atomic": 0.06733951516149157,
"volume": 148.50121768798462,
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"formula_full": "Rb2 Cu1 Ru1 F6",
"formula_reduced": "Rb2CuRuF6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-99309",
"created_at": "2022-09-04T14:36:32.315051Z",
"updated_at": "2022-09-04T14:36:32.315081Z",
"structure_string": "Rb2 Cu2 Pd2 Se10\n1.0\n6.178898 0.000000 -1.378894\n0.000000 7.370768 0.000000\n-0.063693 0.000000 9.031150\nRb Cu Pd Se\n2 2 2 10\ndirect\n0.254484 0.250000 0.050991 Rb\n0.745517 0.750000 0.949009 Rb\n0.114516 0.250000 0.609509 Cu\n0.885485 0.750000 0.390492 Cu\n0.500000 0.500000 0.500000 Pd\n0.500000 0.000000 0.500000 Pd\n0.037837 0.750000 0.658869 Se\n0.685154 0.009952 0.282675 Se\n0.730075 0.250000 0.636410 Se\n0.269926 0.750000 0.363591 Se\n0.685154 0.490048 0.282675 Se\n0.292321 0.750000 0.102994 Se\n0.707680 0.250000 0.897007 Se\n0.962164 0.250000 0.341132 Se\n0.314847 0.990048 0.717325 Se\n0.314847 0.509952 0.717325 Se\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Cu-Pd-Rb-Se",
"density": 5.258548353247193,
"density_atomic": 0.038961639198041666,
"volume": 410.6603399993553,
"volume_molar": 15.456589825159849,
"formula_full": "Rb2 Cu2 Pd2 Se10",
"formula_reduced": "RbCuPdSe5",
"formula_anonymous": "ABCD5",
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"spacegroup": 11
},
{
"id": "jvasp-100887",
"created_at": "2022-09-04T14:36:37.369021Z",
"updated_at": "2022-09-04T14:36:37.369042Z",
"structure_string": "Rb2 Cu1 Pd1 F6\n1.0\n5.134731 -0.000000 2.964538\n1.711577 4.841071 2.964538\n-0.000000 -0.000000 5.929077\nRb Cu Pd F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750001 Rb\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Pd\n0.256156 0.256156 0.743844 F\n0.256157 0.743843 0.743844 F\n0.743844 0.743843 0.256157 F\n0.256157 0.743843 0.256157 F\n0.743844 0.256156 0.743844 F\n0.743844 0.256156 0.256157 F\n",
"nsites": 10,
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],
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"density": 5.125204228018106,
"density_atomic": 0.06785061067859323,
"volume": 147.382608645481,
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"formula_full": "Rb2 Cu1 Pd1 F6",
"formula_reduced": "Rb2CuPdF6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-106195",
"created_at": "2022-09-04T14:36:51.575289Z",
"updated_at": "2022-09-04T14:36:51.575317Z",
"structure_string": "Rb2 Cu1 Mo1 Cl6\n1.0\n6.099796 0.000000 3.521719\n2.033265 5.750944 3.521719\n0.000000 0.000000 7.043438\nRb Cu Mo Cl\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500001 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Mo\n0.752488 0.247512 0.247512 Cl\n0.247513 0.247512 0.752488 Cl\n0.247513 0.752487 0.752488 Cl\n0.247513 0.752487 0.247513 Cl\n0.752488 0.247512 0.752488 Cl\n0.752489 0.752487 0.247512 Cl\n",
"nsites": 10,
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],
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-85269",
"created_at": "2022-09-04T14:37:12.513871Z",
"updated_at": "2022-09-04T14:37:12.513892Z",
"structure_string": "Rb4 Cu2 Br4 Cl4\n1.0\n6.493311 -0.000000 -2.893462\n-0.000000 7.109268 0.000000\n0.105199 -0.000000 8.968732\nRb Cu Br Cl\n4 2 4 4\ndirect\n0.134592 0.500000 0.269183 Rb\n0.634592 0.000000 0.269183 Rb\n0.865408 0.500000 0.730817 Rb\n0.365408 0.000000 0.730817 Rb\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.000000 Cu\n0.156996 0.000000 0.313991 Br\n0.843004 0.000000 0.686009 Br\n0.656996 0.500000 0.313991 Br\n0.343004 0.500000 0.686009 Br\n0.772790 0.227199 0.000000 Cl\n0.227210 0.772801 0.000000 Cl\n0.272790 0.272801 0.000000 Cl\n0.727210 0.727200 0.000000 Cl\n",
"nsites": 14,
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],
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"volume": 416.1847631989977,
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"formula_full": "Rb4 Cu2 Br4 Cl4",
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},
{
"id": "jvasp-111219",
"created_at": "2022-09-04T14:38:49.033128Z",
"updated_at": "2022-09-04T14:38:49.033146Z",
"structure_string": "Rb2 Cu1 Bi1 Br6\n1.0\n6.721847 -0.000000 3.880860\n2.240616 6.337418 3.880860\n0.000000 -0.000000 7.761721\nRb Cu Bi Br\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Bi\n0.738830 0.261170 0.261170 Br\n0.261171 0.261170 0.738829 Br\n0.261171 0.738830 0.738829 Br\n0.261171 0.738830 0.261170 Br\n0.738830 0.261170 0.738829 Br\n0.738830 0.738830 0.261170 Br\n",
"nsites": 10,
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],
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},
{
"id": "jvasp-106405",
"created_at": "2022-09-04T14:36:49.683232Z",
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"structure_string": "Rb2 Cu1 Au1 F6\n1.0\n5.227668 -0.000000 3.018196\n1.742556 4.928693 3.018196\n-0.000000 -0.000000 6.036392\nRb Cu Au F\n2 1 1 6\ndirect\n0.750001 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500001 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Au\n0.735100 0.264900 0.264901 F\n0.264900 0.264900 0.735100 F\n0.264901 0.735099 0.735100 F\n0.264901 0.735099 0.264901 F\n0.735100 0.264900 0.735100 F\n0.735101 0.735099 0.264901 F\n",
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],
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"volume": 155.53108471565503,
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}
]
}