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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=50",
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"results": [
{
"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-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-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-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": [
"K",
"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-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-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-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,
"nelements": 4,
"elements": [
"K",
"Y",
"Ag",
"Br"
],
"chemical_system": "Ag-Br-K-Y",
"density": 3.650013452479779,
"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-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,
"nelements": 4,
"elements": [
"Rb",
"Ag",
"Mo",
"Br"
],
"chemical_system": "Ag-Br-Mo-Rb",
"density": 4.515985145085315,
"density_atomic": 0.031839058113840295,
"volume": 314.0796428162253,
"volume_molar": 18.91431818889832,
"formula_full": "Rb2 Ag1 Mo1 Br6",
"formula_reduced": "Rb2AgMoBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.2974487790000006,
"spacegroup": 225
},
{
"id": "jvasp-99381",
"created_at": "2022-09-04T14:36:14.431412Z",
"updated_at": "2022-09-04T14:36:14.431451Z",
"structure_string": "Rb2 Nd1 Ag1 Br6\n1.0\n6.932557 -0.000000 4.002514\n2.310852 6.536077 4.002514\n-0.000000 -0.000000 8.005027\nRb Nd Ag Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Nd\n0.000000 0.000000 0.000000 Ag\n0.752279 0.247722 0.247721 Br\n0.247721 0.247722 0.752279 Br\n0.247721 0.752279 0.752278 Br\n0.247721 0.752279 0.247721 Br\n0.752279 0.247722 0.752278 Br\n0.752279 0.752279 0.247721 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Nd",
"Ag",
"Br"
],
"chemical_system": "Ag-Br-Nd-Rb",
"density": 4.131505784545889,
"density_atomic": 0.027569354003743673,
"volume": 362.7215929195181,
"volume_molar": 21.843604892527573,
"formula_full": "Rb2 Nd1 Ag1 Br6",
"formula_reduced": "Rb2NdAgBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-30203",
"created_at": "2022-09-04T14:37:05.275627Z",
"updated_at": "2022-09-04T14:37:05.275653Z",
"structure_string": "Ag2 Br2 O8\n1.0\n-2.561275 2.561276 6.260889\n2.561275 -2.561276 6.260889\n2.561276 2.561275 -6.260889\nAg Br O\n2 2 8\ndirect\n0.000000 0.000000 0.000000 Ag\n0.750000 0.250001 0.500001 Ag\n0.500000 0.500000 0.000000 Br\n0.249999 0.750000 0.499999 Br\n0.663637 0.292647 0.103119 O\n0.560472 0.689482 0.603118 O\n0.310517 0.913637 0.870989 O\n0.707353 0.810473 0.370990 O\n0.439481 0.336364 0.629010 O\n0.042646 0.439527 0.129009 O\n0.086362 0.957353 0.396880 O\n0.189526 0.560518 0.896880 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
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"Br",
"O"
],
"chemical_system": "Ag-Br-O",
"density": 5.0894885540001775,
"density_atomic": 0.07304200061927153,
"volume": 164.2890377900451,
"volume_molar": 8.24476425747176,
"formula_full": "Ag2 Br2 O8",
"formula_reduced": "AgBrO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.7590142275000005,
"spacegroup": 88
},
{
"id": "jvasp-77050",
"created_at": "2022-09-04T14:37:08.190462Z",
"updated_at": "2022-09-04T14:37:08.190488Z",
"structure_string": "Ag1 Br1 O2\n1.0\n-0.178555 3.809150 -2.189504\n-5.157846 -0.037256 -0.021235\n-0.020674 0.007372 4.425850\nAg Br O\n1 1 2\ndirect\n0.553872 0.867195 0.656498 Ag\n0.886608 0.999773 0.320318 Br\n0.298523 0.503286 0.019338 O\n0.976313 0.470893 0.864160 O\n",
"nsites": 4,
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"elements": [
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"O"
],
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"density": 4.191285481064629,
"density_atomic": 0.04593965744531916,
"volume": 87.07074067239402,
"volume_molar": 13.108806410165347,
"formula_full": "Ag1 Br1 O2",
"formula_reduced": "AgBrO2",
"formula_anonymous": "ABC2",
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"spacegroup": 8
},
{
"id": "jvasp-81499",
"created_at": "2022-09-04T14:37:12.106279Z",
"updated_at": "2022-09-04T14:37:12.106303Z",
"structure_string": "Ag1 Br1 O2\n1.0\n-0.177308 3.809130 -2.189502\n-5.155430 -0.033982 -0.020765\n-0.021054 0.008074 4.426689\nAg Br O\n1 1 2\ndirect\n0.553642 0.867275 0.656719 Ag\n0.886338 0.999712 0.320359 Br\n0.298741 0.503343 0.019071 O\n0.976598 0.470819 0.864159 O\n",
"nsites": 4,
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"elements": [
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],
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"density": 4.192235164603874,
"density_atomic": 0.04595006669486121,
"volume": 87.05101619465847,
"volume_molar": 13.105836820631822,
"formula_full": "Ag1 Br1 O2",
"formula_reduced": "AgBrO2",
"formula_anonymous": "ABC2",
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"spacegroup": 8
}
]
}