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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=4596",
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"results": [
{
"id": "jvasp-99719",
"created_at": "2022-09-04T14:36:20.600412Z",
"updated_at": "2022-09-04T14:36:20.600443Z",
"structure_string": "Rb2 Ag1 Mo1 Br6\n1.0\n6.607678 0.000000 3.814945\n2.202559 6.229779 3.814945\n-0.000000 -0.000000 7.629890\nRb Ag Mo Br\n2 1 1 6\ndirect\n0.750000 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 Mo\n0.758806 0.241195 0.241195 Br\n0.241195 0.241195 0.758806 Br\n0.241195 0.758806 0.758806 Br\n0.241195 0.758806 0.241195 Br\n0.758806 0.241195 0.758806 Br\n0.758806 0.758806 0.241195 Br\n",
"nsites": 10,
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"elements": [
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"Mo",
"Br"
],
"chemical_system": "Ag-Br-Mo-Rb",
"density": 4.515985145085315,
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"volume": 314.0796428162253,
"volume_molar": 18.91431818889832,
"formula_full": "Rb2 Ag1 Mo1 Br6",
"formula_reduced": "Rb2AgMoBr6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
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{
"id": "jvasp-105599",
"created_at": "2022-09-04T14:36:31.638172Z",
"updated_at": "2022-09-04T14:36:31.638192Z",
"structure_string": "K2 Y1 Ag1 Br6\n1.0\n6.805918 -0.000000 3.929399\n2.268640 6.416681 3.929399\n-0.000000 -0.000000 7.858797\nK Y Ag Br\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 Y\n0.000000 0.000000 0.000000 Ag\n0.748462 0.251538 0.251538 Br\n0.251538 0.251538 0.748462 Br\n0.251538 0.748462 0.748462 Br\n0.251538 0.748462 0.251538 Br\n0.748462 0.251538 0.748462 Br\n0.748462 0.748462 0.251538 Br\n",
"nsites": 10,
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"elements": [
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"Ag",
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"chemical_system": "Ag-Br-K-Y",
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"density_atomic": 0.029137129742798317,
"volume": 343.20470438484597,
"volume_molar": 20.668270392997318,
"formula_full": "K2 Y1 Ag1 Br6",
"formula_reduced": "K2YAgBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-105021",
"created_at": "2022-09-04T14:36:42.627337Z",
"updated_at": "2022-09-04T14:36:42.627367Z",
"structure_string": "K2 Ta1 Ag1 Br6\n1.0\n6.630767 -0.000000 3.828275\n2.210256 6.251547 3.828275\n-0.000000 -0.000000 7.656550\nK Ta Ag Br\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750001 0.750000 0.750000 K\n0.500000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Ag\n0.257572 0.257572 0.742428 Br\n0.257572 0.742428 0.742428 Br\n0.742429 0.742428 0.257572 Br\n0.257572 0.742428 0.257572 Br\n0.742429 0.257572 0.742428 Br\n0.742429 0.257572 0.257572 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Ta",
"Ag",
"Br"
],
"chemical_system": "Ag-Br-K-Ta",
"density": 4.428525824417241,
"density_atomic": 0.031507620727343685,
"volume": 317.38353354372975,
"volume_molar": 19.113283139065224,
"formula_full": "K2 Ta1 Ag1 Br6",
"formula_reduced": "K2TaAgBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.3865027089999999,
"spacegroup": 225
},
{
"id": "jvasp-105016",
"created_at": "2022-09-04T14:36:48.022276Z",
"updated_at": "2022-09-04T14:36:48.022304Z",
"structure_string": "K2 Sc1 Ag1 Br6\n1.0\n6.650589 -0.000000 3.839719\n2.216863 6.270235 3.839719\n-0.000000 -0.000000 7.679438\nK Sc Ag Br\n2 1 1 6\ndirect\n0.750000 0.750001 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Ag\n0.757118 0.242883 0.242882 Br\n0.242882 0.242883 0.757118 Br\n0.242882 0.757118 0.757118 Br\n0.242882 0.757118 0.242882 Br\n0.757118 0.242883 0.757118 Br\n0.757117 0.757118 0.242882 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Sc",
"Ag",
"Br"
],
"chemical_system": "Ag-Br-K-Sc",
"density": 3.6838846022841567,
"density_atomic": 0.03122673904316206,
"volume": 320.23836962860105,
"volume_molar": 19.285205386563444,
"formula_full": "K2 Sc1 Ag1 Br6",
"formula_reduced": "K2ScAgBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-102878",
"created_at": "2022-09-04T14:36:36.691587Z",
"updated_at": "2022-09-04T14:36:36.691619Z",
"structure_string": "K2 Ag1 Sb1 Br6\n1.0\n6.807386 0.000000 3.930246\n2.269128 6.418065 3.930246\n-0.000000 -0.000000 7.860492\nK Ag Sb Br\n2 1 1 6\ndirect\n0.750000 0.750001 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Sb\n0.748703 0.251298 0.251298 Br\n0.251298 0.251298 0.748702 Br\n0.251298 0.748703 0.748703 Br\n0.251298 0.748703 0.251297 Br\n0.748703 0.251298 0.748703 Br\n0.748703 0.748703 0.251298 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Ag",
"Sb",
"Br"
],
"chemical_system": "Ag-Br-K-Sb",
"density": 3.806509223147284,
"density_atomic": 0.029118284275508596,
"volume": 343.42682780973485,
"volume_molar": 20.681646978305057,
"formula_full": "K2 Ag1 Sb1 Br6",
"formula_reduced": "K2AgSbBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-109845",
"created_at": "2022-09-04T14:38:03.315863Z",
"updated_at": "2022-09-04T14:38:03.315886Z",
"structure_string": "K2 Pr1 Ag1 Br6\n1.0\n6.952665 -0.000000 4.014123\n2.317555 6.555035 4.014123\n-0.000000 -0.000000 8.028246\nK Pr Ag Br\n2 1 1 6\ndirect\n0.749999 0.750001 0.750000 K\n0.250000 0.250000 0.250000 K\n0.499999 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Ag\n0.753366 0.246633 0.246633 Br\n0.246633 0.246633 0.753367 Br\n0.246632 0.753367 0.753367 Br\n0.246632 0.753367 0.246633 Br\n0.753366 0.246633 0.753367 Br\n0.753366 0.753367 0.246633 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Pr",
"Ag",
"Br"
],
"chemical_system": "Ag-Br-K-Pr",
"density": 3.6597440542193778,
"density_atomic": 0.027330841855390784,
"volume": 365.88700973466655,
"volume_molar": 22.034230748776526,
"formula_full": "K2 Pr1 Ag1 Br6",
"formula_reduced": "K2PrAgBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-106423",
"created_at": "2022-09-04T14:36:57.869611Z",
"updated_at": "2022-09-04T14:36:57.869627Z",
"structure_string": "K2 Ag1 Mo1 Br6\n1.0\n6.594008 -0.000000 3.807052\n2.198003 6.216890 3.807052\n-0.000000 -0.000000 7.614105\nK Ag Mo Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.499999 Ag\n0.000000 0.000000 0.000000 Mo\n0.758352 0.241648 0.241648 Br\n0.241648 0.241648 0.758351 Br\n0.241648 0.758352 0.758351 Br\n0.241648 0.758352 0.241648 Br\n0.758352 0.241648 0.758351 Br\n0.758352 0.758352 0.241648 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Ag",
"Mo",
"Br"
],
"chemical_system": "Ag-Br-K-Mo",
"density": 4.050763447974864,
"density_atomic": 0.032037490146941794,
"volume": 312.13431370979515,
"volume_molar": 18.79716773186384,
"formula_full": "K2 Ag1 Mo1 Br6",
"formula_reduced": "K2AgMoBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.302135379,
"spacegroup": 225
},
{
"id": "jvasp-36957",
"created_at": "2022-09-04T14:38:01.759733Z",
"updated_at": "2022-09-04T14:38:01.759765Z",
"structure_string": "K1 Ag1 Br3\n1.0\n5.343838 0.003430 0.000553\n-0.003127 5.343920 0.007166\n-0.000855 -0.006290 5.344125\nK Ag Br\n1 1 3\ndirect\n0.000020 0.011806 0.001985 K\n0.499993 0.512047 0.502002 Ag\n-0.000009 0.512069 0.502110 Br\n0.499963 0.012053 0.501903 Br\n0.500030 0.512027 0.001999 Br\n",
"nsites": 5,
"nelements": 3,
"elements": [
"K",
"Ag",
"Br"
],
"chemical_system": "Ag-Br-K",
"density": 4.207347924233617,
"density_atomic": 0.03276267161839185,
"volume": 152.61270687074156,
"volume_molar": 18.381104050804495,
"formula_full": "K1 Ag1 Br3",
"formula_reduced": "KAgBr3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0026300000000001,
"spacegroup": 221
},
{
"id": "jvasp-36952",
"created_at": "2022-09-04T14:38:30.519149Z",
"updated_at": "2022-09-04T14:38:30.519175Z",
"structure_string": "K2 Ag2 Br6\n1.0\n6.490062 -0.059417 3.537791\n2.073834 6.150093 3.537791\n-0.083544 -0.059417 7.391204\nK Ag Br\n2 2 6\ndirect\n0.255551 0.255550 0.255551 K\n0.755551 0.755550 0.755551 K\n0.005749 0.005749 0.005749 Ag\n0.505749 0.505748 0.505748 Ag\n0.255712 0.819125 0.692363 Br\n0.819125 0.692363 0.255712 Br\n0.692364 0.255711 0.819125 Br\n0.192364 0.319125 0.755711 Br\n0.755712 0.192363 0.319126 Br\n0.319125 0.755711 0.192364 Br\n",
"nsites": 10,
"nelements": 3,
"elements": [
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"Br"
],
"chemical_system": "Ag-Br-K",
"density": 4.29939922610736,
"density_atomic": 0.03347947627292592,
"volume": 298.6904549664885,
"volume_molar": 17.987559634766352,
"formula_full": "K2 Ag2 Br6",
"formula_reduced": "KAgBr3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 167
},
{
"id": "jvasp-110579",
"created_at": "2022-09-04T14:38:39.126177Z",
"updated_at": "2022-09-04T14:38:39.126205Z",
"structure_string": "In2 Ag1 Te3 Br1\n1.0\n4.311386 0.000000 0.000000\n0.000000 4.311386 -0.000000\n0.000000 -0.000000 11.630796\nIn Ag Te Br\n2 1 3 1\ndirect\n0.500000 0.500000 0.737182 In\n0.500000 0.500000 0.262819 In\n0.000000 0.000000 0.000000 Ag\n0.000000 0.000000 0.759390 Te\n0.000000 0.000000 0.240610 Te\n0.500000 0.500000 0.000000 Te\n0.500000 0.500000 0.500000 Br\n",
"nsites": 7,
"nelements": 4,
"elements": [
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"Te",
"Br"
],
"chemical_system": "Ag-Br-In-Te",
"density": 6.146230482432031,
"density_atomic": 0.03237835551420196,
"volume": 216.19380875997928,
"volume_molar": 18.599279254187376,
"formula_full": "In2 Ag1 Te3 Br1",
"formula_reduced": "In2AgTe3Br",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 0.1897492292857143,
"spacegroup": 123
},
{
"id": "jvasp-101511",
"created_at": "2022-09-04T14:36:40.443213Z",
"updated_at": "2022-09-04T14:36:40.443234Z",
"structure_string": "Rb2 In1 Ag1 Br6\n1.0\n6.728498 0.000000 3.884700\n2.242833 6.343689 3.884700\n0.000000 0.000000 7.769400\nRb In Ag Br\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 In\n0.500000 0.500000 0.500000 Ag\n0.753433 0.246568 0.246567 Br\n0.246567 0.246568 0.753433 Br\n0.246567 0.753433 0.753433 Br\n0.246567 0.753433 0.246567 Br\n0.753433 0.246568 0.753432 Br\n0.753432 0.753433 0.246567 Br\n",
"nsites": 10,
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"elements": [
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"In",
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"Br"
],
"chemical_system": "Ag-Br-In-Rb",
"density": 4.3715820339572256,
"density_atomic": 0.030154526098717056,
"volume": 331.62517518142846,
"volume_molar": 19.97093484502221,
"formula_full": "Rb2 In1 Ag1 Br6",
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"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-112867",
"created_at": "2022-09-04T14:38:42.814698Z",
"updated_at": "2022-09-04T14:38:42.814721Z",
"structure_string": "Ag2 H6 Br2 N2\n1.0\n5.884654 -0.000000 0.000000\n0.000000 4.212099 0.507468\n-0.000000 -0.105519 6.719163\nAg H Br N\n2 6 2 2\ndirect\n0.749999 0.342579 0.028909 Ag\n0.250000 0.657421 0.971091 Ag\n0.749999 0.381326 0.432013 H\n0.250000 0.618674 0.567987 H\n0.890778 0.692307 0.322374 H\n0.390778 0.307692 0.677626 H\n0.109221 0.307692 0.677626 H\n0.609221 0.692307 0.322374 H\n0.749999 0.979848 0.750205 Br\n0.250000 0.020151 0.249795 Br\n0.749999 0.551970 0.311770 N\n0.250000 0.448030 0.688229 N\n",
"nsites": 12,
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"elements": [
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"N"
],
"chemical_system": "Ag-Br-H-N",
"density": 4.076235026525395,
"density_atomic": 0.07191602077080249,
"volume": 166.8612900350006,
"volume_molar": 8.373851466549656,
"formula_full": "Ag2 H6 Br2 N2",
"formula_reduced": "AgH3BrN",
"formula_anonymous": "ABCD3",
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"spacegroup": 11
}
]
}