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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=4413",
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"results": [
{
"id": "jvasp-34663",
"created_at": "2022-09-04T14:37:14.949678Z",
"updated_at": "2022-09-04T14:37:14.949711Z",
"structure_string": "Rb2 S2 O8 F2\n1.0\n5.492050 0.025328 0.057022\n-0.359228 5.501961 -0.010196\n-2.087658 -1.501493 7.016097\nRb S O F\n2 2 8 2\ndirect\n0.107947 0.336226 0.245272 Rb\n0.892052 0.663775 0.754728 Rb\n0.381809 0.225305 0.790777 S\n0.618191 0.774696 0.209222 S\n0.160604 0.185642 0.856579 O\n0.648570 0.615798 0.345911 O\n0.371304 0.738933 0.067846 O\n0.351429 0.384203 0.654089 O\n0.568919 0.054009 0.317692 O\n0.431080 0.945992 0.682308 O\n0.839396 0.814358 0.143421 O\n0.628695 0.261067 0.932153 O\n0.796242 0.149014 0.488703 F\n0.203757 0.850987 0.511297 F\n",
"nsites": 14,
"nelements": 4,
"elements": [
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"S",
"O",
"F"
],
"chemical_system": "F-O-Rb-S",
"density": 3.131454281176245,
"density_atomic": 0.0658291513200705,
"volume": 212.67173766117764,
"volume_molar": 9.148136713352892,
"formula_full": "Rb2 S2 O8 F2",
"formula_reduced": "RbSO4F",
"formula_anonymous": "ABCD4",
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},
{
"id": "jvasp-110701",
"created_at": "2022-09-04T14:38:37.417871Z",
"updated_at": "2022-09-04T14:38:37.417885Z",
"structure_string": "Rb2 Sb1 Au1 Br6\n1.0\n6.832795 -0.000000 3.944916\n2.277598 6.442021 3.944916\n-0.000000 -0.000000 7.889832\nRb Sb Au Br\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Sb\n0.500001 0.500000 0.500000 Au\n0.748290 0.251710 0.251711 Br\n0.251711 0.251710 0.748290 Br\n0.251711 0.748290 0.748290 Br\n0.251711 0.748290 0.251711 Br\n0.748290 0.251710 0.748290 Br\n0.748290 0.748290 0.251711 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Sb",
"Au",
"Br"
],
"chemical_system": "Au-Br-Rb-Sb",
"density": 4.6336498204150285,
"density_atomic": 0.028794644226040153,
"volume": 347.28680519541194,
"volume_molar": 20.9141002497747,
"formula_full": "Rb2 Sb1 Au1 Br6",
"formula_reduced": "Rb2SbAuBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-99715",
"created_at": "2022-09-04T14:36:20.758556Z",
"updated_at": "2022-09-04T14:36:20.758592Z",
"structure_string": "Rb2 Sb1 Au1 Cl6\n1.0\n6.504546 -0.000000 3.755401\n2.168182 6.132545 3.755401\n0.000000 0.000000 7.510802\nRb Sb Au Cl\n2 1 1 6\ndirect\n0.750000 0.749999 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Au\n0.750145 0.249855 0.249855 Cl\n0.249855 0.249855 0.750145 Cl\n0.249855 0.750144 0.750145 Cl\n0.249855 0.750144 0.249855 Cl\n0.750145 0.249855 0.750145 Cl\n0.750145 0.750144 0.249855 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Sb",
"Au",
"Cl"
],
"chemical_system": "Au-Cl-Rb-Sb",
"density": 3.8929362546053596,
"density_atomic": 0.03337766517015994,
"volume": 299.60154339795247,
"volume_molar": 18.042426662557183,
"formula_full": "Rb2 Sb1 Au1 Cl6",
"formula_reduced": "Rb2SbAuCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-106441",
"created_at": "2022-09-04T14:36:56.418072Z",
"updated_at": "2022-09-04T14:36:56.418097Z",
"structure_string": "Rb2 Sb1 Au1 F6\n1.0\n5.666889 -0.000000 3.271780\n1.888963 5.342794 3.271780\n-0.000000 -0.000000 6.543559\nRb Sb Au F\n2 1 1 6\ndirect\n0.750000 0.749999 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Au\n0.764730 0.235270 0.235270 F\n0.235270 0.235270 0.764730 F\n0.235270 0.764730 0.764731 F\n0.235270 0.764730 0.235270 F\n0.764730 0.235270 0.764730 F\n0.764730 0.764730 0.235270 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Sb",
"Au",
"F"
],
"chemical_system": "Au-F-Rb-Sb",
"density": 5.059516380932318,
"density_atomic": 0.05047459487398861,
"volume": 198.11947029917349,
"volume_molar": 11.93103337438262,
"formula_full": "Rb2 Sb1 Au1 F6",
"formula_reduced": "Rb2SbAuF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-110700",
"created_at": "2022-09-04T14:38:36.645636Z",
"updated_at": "2022-09-04T14:38:36.645656Z",
"structure_string": "Rb2 Sb1 Au1 I6\n1.0\n7.290098 -0.000000 4.208940\n2.430033 6.873170 4.208940\n-0.000000 -0.000000 8.417880\nRb Sb Au I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Au\n0.746155 0.253845 0.253845 I\n0.253845 0.253845 0.746155 I\n0.253845 0.746155 0.746155 I\n0.253845 0.746155 0.253845 I\n0.746155 0.253845 0.746155 I\n0.746155 0.746155 0.253845 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Sb",
"Au",
"I"
],
"chemical_system": "Au-I-Rb-Sb",
"density": 4.925429605748747,
"density_atomic": 0.02370864955277828,
"volume": 421.78699287527144,
"volume_molar": 25.40060641832002,
"formula_full": "Rb2 Sb1 Au1 I6",
"formula_reduced": "Rb2SbAuI6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-98249",
"created_at": "2022-09-04T14:36:18.357719Z",
"updated_at": "2022-09-04T14:36:18.357733Z",
"structure_string": "Rb8 Sb4 Au4 S16\n1.0\n6.727327 -0.000000 0.000000\n0.000000 7.203863 0.000000\n0.000000 0.000000 20.203469\nRb Sb Au S\n8 4 4 16\ndirect\n0.299449 0.750000 0.011911 Rb\n0.909498 0.250000 0.670910 Rb\n0.700552 0.250000 0.988089 Rb\n0.299449 0.250000 0.488089 Rb\n0.090502 0.750000 0.329090 Rb\n0.090502 0.250000 0.170910 Rb\n0.700552 0.750000 0.511911 Rb\n0.909498 0.750000 0.829090 Rb\n0.793568 0.750000 0.109549 Sb\n0.793568 0.250000 0.390451 Sb\n0.206432 0.250000 0.890451 Sb\n0.206432 0.750000 0.609549 Sb\n0.597138 0.500000 0.250000 Au\n0.402862 0.500000 0.750000 Au\n0.597138 0.000000 0.250000 Au\n0.402862 0.000000 0.750000 Au\n0.801652 0.750000 0.993108 S\n0.897187 0.750000 0.662413 S\n0.399123 0.523862 0.864325 S\n0.600877 0.023862 0.135675 S\n0.399123 0.476138 0.635675 S\n0.198348 0.750000 0.493108 S\n0.897187 0.250000 0.837587 S\n0.198348 0.250000 0.006892 S\n0.600877 0.976137 0.364325 S\n0.102814 0.250000 0.337587 S\n0.399123 0.023862 0.635675 S\n0.801652 0.250000 0.506892 S\n0.600877 0.523862 0.364325 S\n0.102814 0.750000 0.162413 S\n0.600877 0.476138 0.135675 S\n0.399123 0.976137 0.864325 S\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Rb",
"Sb",
"Au",
"S"
],
"chemical_system": "Au-Rb-S-Sb",
"density": 4.191880914806384,
"density_atomic": 0.03268255866941771,
"volume": 979.1155069490809,
"volume_molar": 18.426160634831636,
"formula_full": "Rb8 Sb4 Au4 S16",
"formula_reduced": "Rb2SbAuS4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.03596545875,
"spacegroup": 57
},
{
"id": "jvasp-26635",
"created_at": "2022-09-04T14:37:41.892089Z",
"updated_at": "2022-09-04T14:37:41.892105Z",
"structure_string": "Rb2 Sb2 Br2 F6\n1.0\n4.415251 -0.009793 -0.056299\n-1.799316 7.415549 -0.012300\n-1.485996 -3.543253 8.092635\nRb Sb Br F\n2 2 2 6\ndirect\n0.983132 0.305839 0.648997 Rb\n0.016866 0.694162 0.351003 Rb\n0.305997 0.159447 0.207918 Sb\n0.694002 0.840554 0.792083 Sb\n0.429995 0.761360 0.064769 Br\n0.570003 0.238641 0.935232 Br\n0.597600 0.549680 0.677720 F\n0.695665 0.885740 0.583031 F\n0.304333 0.114261 0.416970 F\n0.402398 0.450321 0.322280 F\n0.211087 0.762997 0.698131 F\n0.788912 0.237004 0.301869 F\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Rb",
"Sb",
"Br",
"F"
],
"chemical_system": "Br-F-Rb-Sb",
"density": 4.334800700713292,
"density_atomic": 0.04551478832005636,
"volume": 263.65057254835415,
"volume_molar": 13.23117382783984,
"formula_full": "Rb2 Sb2 Br2 F6",
"formula_reduced": "RbSbBrF3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 0.0,
"spacegroup": 2
},
{
"id": "jvasp-111787",
"created_at": "2022-09-04T14:38:53.034869Z",
"updated_at": "2022-09-04T14:38:53.034903Z",
"structure_string": "Rb2 Sb2 W2 O12\n1.0\n6.395292 -0.026651 -3.573809\n-2.148307 5.919981 -3.743152\n0.068839 0.026651 7.325785\nRb Sb W O\n2 2 2 12\ndirect\n0.659510 0.382327 0.777182 Rb\n0.394855 0.617673 0.277182 Rb\n-0.003731 0.500000 0.496269 Sb\n-0.003731 -0.000000 -0.003731 Sb\n0.515497 0.991197 0.024302 W\n0.033105 0.008803 0.524302 W\n0.316656 0.688792 0.752840 O\n0.934674 0.066754 0.743406 O\n0.317505 0.063209 0.754296 O\n0.916100 0.672183 0.743917 O\n0.064048 0.311207 0.627863 O\n0.064048 0.936184 0.252841 O\n0.676653 0.308733 0.243406 O\n0.316656 0.063816 0.127863 O\n0.691089 0.936791 0.254297 O\n0.071735 0.327817 0.243917 O\n0.676652 0.933246 0.867921 O\n0.934674 0.691267 0.367921 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Rb",
"Sb",
"W",
"O"
],
"chemical_system": "O-Rb-Sb-W",
"density": 5.7927734335612335,
"density_atomic": 0.0644605111970347,
"volume": 279.2407268533736,
"volume_molar": 9.342372016865154,
"formula_full": "Rb2 Sb2 W2 O12",
"formula_reduced": "RbSbWO6",
"formula_anonymous": "ABCD6",
"energy_above_hull": 2.8015374555555552,
"spacegroup": 46
},
{
"id": "jvasp-109885",
"created_at": "2022-09-04T14:38:07.114089Z",
"updated_at": "2022-09-04T14:38:07.114118Z",
"structure_string": "Rb2 Sc1 Ag1 Br6\n1.0\n6.675413 -0.000000 3.854051\n2.225138 6.293639 3.854051\n-0.000000 -0.000000 7.708103\nRb Sc Ag Br\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 Sc\n0.500000 0.500000 0.500000 Ag\n0.757475 0.242525 0.242524 Br\n0.242525 0.242525 0.757475 Br\n0.242525 0.757475 0.757475 Br\n0.242525 0.757475 0.242524 Br\n0.757475 0.242525 0.757475 Br\n0.757475 0.757475 0.242524 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Sc",
"Ag",
"Br"
],
"chemical_system": "Ag-Br-Rb-Sc",
"density": 4.118475742093005,
"density_atomic": 0.03087966087153494,
"volume": 323.8377533225457,
"volume_molar": 19.50196533910528,
"formula_full": "Rb2 Sc1 Ag1 Br6",
"formula_reduced": "Rb2ScAgBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-105658",
"created_at": "2022-09-04T14:36:19.923204Z",
"updated_at": "2022-09-04T14:36:19.923243Z",
"structure_string": "Rb2 Sc1 Ag1 Cl6\n1.0\n6.327414 0.000000 3.653133\n2.109138 5.965543 3.653133\n0.000000 0.000000 7.306268\nRb Sc Ag Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Ag\n0.759842 0.240158 0.240158 Cl\n0.240158 0.240158 0.759842 Cl\n0.240158 0.759842 0.759842 Cl\n0.240158 0.759842 0.240157 Cl\n0.759842 0.240158 0.759842 Cl\n0.759842 0.759842 0.240157 Cl\n",
"nsites": 10,
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"elements": [
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"Cl"
],
"chemical_system": "Ag-Cl-Rb-Sc",
"density": 3.2301965677126816,
"density_atomic": 0.0362600309105797,
"volume": 275.7857549724887,
"volume_molar": 16.608206360471968,
"formula_full": "Rb2 Sc1 Ag1 Cl6",
"formula_reduced": "Rb2ScAgCl6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-107850",
"created_at": "2022-09-04T14:36:35.215940Z",
"updated_at": "2022-09-04T14:36:35.215959Z",
"structure_string": "Rb2 Sc1 Ag1 F6\n1.0\n5.419134 -0.000000 3.128739\n1.806378 5.109209 3.128739\n-0.000000 -0.000000 6.257477\nRb Sc Ag F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500001 Ag\n0.771645 0.228355 0.228355 F\n0.228354 0.228355 0.771646 F\n0.228355 0.771646 0.771646 F\n0.228355 0.771646 0.228355 F\n0.771645 0.228355 0.771646 F\n0.771645 0.771646 0.228355 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
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],
"chemical_system": "Ag-F-Rb-Sc",
"density": 4.195585364993134,
"density_atomic": 0.05771878486490368,
"volume": 173.25382063059632,
"volume_molar": 10.43358895045243,
"formula_full": "Rb2 Sc1 Ag1 F6",
"formula_reduced": "Rb2ScAgF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-107414",
"created_at": "2022-09-04T14:36:52.051808Z",
"updated_at": "2022-09-04T14:36:52.051822Z",
"structure_string": "Rb2 Sc1 Ag1 I6\n1.0\n7.182581 -0.000000 4.146865\n2.394194 6.771802 4.146865\n-0.000000 -0.000000 8.293730\nRb Sc Ag I\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 Sc\n0.500000 0.500000 0.500000 Ag\n0.754515 0.245485 0.245485 I\n0.245485 0.245485 0.754515 I\n0.245485 0.754515 0.754515 I\n0.245485 0.754515 0.245485 I\n0.754515 0.245485 0.754514 I\n0.754515 0.754515 0.245485 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"I"
],
"chemical_system": "Ag-I-Rb-Sc",
"density": 4.467029453826469,
"density_atomic": 0.02478936050719929,
"volume": 403.39886932927595,
"volume_molar": 24.29324773525747,
"formula_full": "Rb2 Sc1 Ag1 I6",
"formula_reduced": "Rb2ScAgI6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
}
]
}