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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=3392",
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"results": [
{
"id": "jvasp-66097",
"created_at": "2022-09-04T14:35:45.127215Z",
"updated_at": "2022-09-04T14:35:45.127246Z",
"structure_string": "Ba1 Cd1 Sb1\n1.0\n-0.000000 3.948784 3.948784\n3.948784 0.000000 3.948784\n3.948784 3.948784 -0.000000\nBa Cd Sb\n1 1 1\ndirect\n0.749999 0.749999 0.749999 Ba\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Cd",
"Sb"
],
"chemical_system": "Ba-Cd-Sb",
"density": 5.009396948649335,
"density_atomic": 0.024361337254498783,
"volume": 123.1459492005511,
"volume_molar": 24.720074670317604,
"formula_full": "Ba1 Cd1 Sb1",
"formula_reduced": "BaCdSb",
"formula_anonymous": "ABC",
"energy_above_hull": 0.2168851222222222,
"spacegroup": 216
},
{
"id": "jvasp-8699",
"created_at": "2022-09-04T14:36:43.257085Z",
"updated_at": "2022-09-04T14:36:43.257107Z",
"structure_string": "Ba2 Cd2 Sb4\n1.0\n4.533812 0.000000 -0.840517\n-0.155822 4.531134 -0.840517\n-0.001854 -0.001918 12.638125\nBa Cd Sb\n2 2 4\ndirect\n0.887078 0.887076 0.774154 Ba\n0.112923 0.112922 0.225846 Ba\n0.750000 0.250000 0.500000 Cd\n0.250001 0.749999 0.500000 Cd\n0.673250 0.673249 0.346499 Sb\n0.326751 0.326750 0.653500 Sb\n0.500000 -0.000000 -0.000000 Sb\n0.000000 0.500000 -0.000000 Sb\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ba",
"Cd",
"Sb"
],
"chemical_system": "Ba-Cd-Sb",
"density": 6.309931274198918,
"density_atomic": 0.03081494417305652,
"volume": 259.61429477438134,
"volume_molar": 19.542922830493215,
"formula_full": "Ba2 Cd2 Sb4",
"formula_reduced": "BaCdSb2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4619253666666668,
"spacegroup": 139
},
{
"id": "jvasp-16027",
"created_at": "2022-09-04T14:36:30.688935Z",
"updated_at": "2022-09-04T14:36:30.688963Z",
"structure_string": "Ba1 Cd2 Sb2\n1.0\n2.427708 -4.204914 -0.000000\n2.427708 4.204914 -0.000000\n-0.000000 0.000000 8.089378\nBa Cd Sb\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.666667 0.333334 0.634738 Cd\n0.333334 0.666667 0.365262 Cd\n0.666667 0.333334 0.261917 Sb\n0.333334 0.666667 0.738084 Sb\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Cd",
"Sb"
],
"chemical_system": "Ba-Cd-Sb",
"density": 6.089557709673384,
"density_atomic": 0.03027410492073183,
"volume": 165.1576491886959,
"volume_molar": 19.892052220100528,
"formula_full": "Ba1 Cd2 Sb2",
"formula_reduced": "Ba(CdSb)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.2584172200000004,
"spacegroup": 164
},
{
"id": "jvasp-64822",
"created_at": "2022-09-04T14:36:04.745346Z",
"updated_at": "2022-09-04T14:36:04.745372Z",
"structure_string": "Ba4 Cd1 Sb1\n1.0\n0.000000 5.020678 5.020678\n5.020678 0.000000 5.020678\n5.020678 5.020678 -0.000000\nBa Cd Sb\n4 1 1\ndirect\n0.120738 0.626421 0.626421 Ba\n0.626421 0.626421 0.626421 Ba\n0.626421 0.120738 0.626421 Ba\n0.626421 0.626421 0.120738 Ba\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Cd",
"Sb"
],
"chemical_system": "Ba-Cd-Sb",
"density": 5.139955457648183,
"density_atomic": 0.02370468278801432,
"volume": 253.11454507350544,
"volume_molar": 25.404856980600243,
"formula_full": "Ba4 Cd1 Sb1",
"formula_reduced": "Ba4CdSb",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0373136566666666,
"spacegroup": 216
},
{
"id": "jvasp-65716",
"created_at": "2022-09-04T14:35:59.275264Z",
"updated_at": "2022-09-04T14:35:59.275275Z",
"structure_string": "Ba1 Cd2 Sb1\n1.0\n4.208982 0.000000 0.000000\n0.000000 4.208982 0.000000\n0.000000 0.000000 7.092489\nBa Cd Sb\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.791436 Cd\n0.000000 0.000000 0.208564 Cd\n0.500000 0.500000 0.000000 Sb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Cd",
"Sb"
],
"chemical_system": "Ba-Cd-Sb",
"density": 6.395286264664914,
"density_atomic": 0.03183517074459545,
"volume": 125.64719794000371,
"volume_molar": 18.91662780235711,
"formula_full": "Ba1 Cd2 Sb1",
"formula_reduced": "BaCd2Sb",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 123
},
{
"id": "jvasp-65799",
"created_at": "2022-09-04T14:35:58.756157Z",
"updated_at": "2022-09-04T14:35:58.756181Z",
"structure_string": "Ba1 Cd1 Sb2\n1.0\n4.233895 0.000000 -0.000000\n-0.000000 4.233895 0.000000\n0.000000 0.000000 7.085912\nBa Cd Sb\n1 1 2\ndirect\n0.500001 0.500001 0.000000 Ba\n0.500001 0.500001 0.500000 Cd\n0.000000 0.000000 0.704790 Sb\n0.000000 0.000000 0.295210 Sb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Cd",
"Sb"
],
"chemical_system": "Ba-Cd-Sb",
"density": 6.448330876367831,
"density_atomic": 0.03149082728954097,
"volume": 127.02111517179854,
"volume_molar": 19.12347587641856,
"formula_full": "Ba1 Cd1 Sb2",
"formula_reduced": "BaCdSb2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5273153666666668,
"spacegroup": 123
},
{
"id": "jvasp-55234",
"created_at": "2022-09-04T14:37:04.478978Z",
"updated_at": "2022-09-04T14:37:04.479012Z",
"structure_string": "Ba8 Cd4 S12\n1.0\n4.373406 0.000000 0.000000\n-0.000000 8.994090 0.000000\n0.000000 0.000000 17.378029\nBa Cd S\n8 4 12\ndirect\n0.250000 0.263544 0.541818 Ba\n0.750001 0.236456 0.041818 Ba\n0.250000 0.763544 0.958182 Ba\n0.750001 0.736456 0.458182 Ba\n0.250000 0.922292 0.214812 Ba\n0.750001 0.077708 0.785188 Ba\n0.250000 0.422292 0.285188 Ba\n0.750001 0.577708 0.714812 Ba\n0.250000 0.377731 0.868525 Cd\n0.250000 0.877731 0.631475 Cd\n0.750001 0.622269 0.131475 Cd\n0.750001 0.122269 0.368525 Cd\n0.250000 0.314529 0.724318 S\n0.250000 0.484299 0.095953 S\n0.750001 0.515701 0.904047 S\n0.250000 0.984299 0.404047 S\n0.750001 0.015701 0.595953 S\n0.250000 0.618747 0.572204 S\n0.750001 0.381253 0.427796 S\n0.250000 0.118747 0.927796 S\n0.750001 0.685471 0.275682 S\n0.250000 0.814529 0.775682 S\n0.750001 0.185471 0.224318 S\n0.750001 0.881253 0.072204 S\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ba",
"Cd",
"S"
],
"chemical_system": "Ba-Cd-S",
"density": 4.695830315613405,
"density_atomic": 0.03511023195233011,
"volume": 683.5614197190522,
"volume_molar": 17.152096198556553,
"formula_full": "Ba8 Cd4 S12",
"formula_reduced": "Ba2CdS3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.3150619483333332,
"spacegroup": 62
},
{
"id": "jvasp-87125",
"created_at": "2022-09-04T14:36:12.572300Z",
"updated_at": "2022-09-04T14:36:12.572309Z",
"structure_string": "Ba4 Cd4 S8\n1.0\n4.206779 -0.000000 0.000000\n-0.000000 7.324996 0.000000\n0.000000 0.000000 14.076393\nBa Cd S\n4 4 8\ndirect\n0.750000 0.634187 0.142579 Ba\n0.250000 0.365813 0.857421 Ba\n0.750000 0.134187 0.357421 Ba\n0.250000 0.865814 0.642579 Ba\n0.750000 0.877080 0.891601 Cd\n0.750000 0.377080 0.608398 Cd\n0.250000 0.122920 0.108398 Cd\n0.250000 0.622920 0.391602 Cd\n0.750000 0.742679 0.475366 S\n0.250000 0.257321 0.524633 S\n0.750000 0.242679 0.024633 S\n0.250000 0.757321 0.975366 S\n0.250000 0.897200 0.242304 S\n0.750000 0.602800 0.742304 S\n0.250000 0.397200 0.257696 S\n0.750000 0.102800 0.757696 S\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ba",
"Cd",
"S"
],
"chemical_system": "Ba-Cd-S",
"density": 4.806264376854768,
"density_atomic": 0.03688684493761139,
"volume": 433.7589736140789,
"volume_molar": 16.32598496885693,
"formula_full": "Ba4 Cd4 S8",
"formula_reduced": "BaCdS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.04157393,
"spacegroup": 62
},
{
"id": "jvasp-66274",
"created_at": "2022-09-04T14:36:15.512775Z",
"updated_at": "2022-09-04T14:36:15.512803Z",
"structure_string": "Ba4 Cd1 Ru1\n1.0\n0.000000 4.836710 4.836710\n4.836710 0.000000 4.836710\n4.836710 4.836710 0.000000\nBa Cd Ru\n4 1 1\ndirect\n0.122819 0.625727 0.625727 Ba\n0.625727 0.625727 0.625727 Ba\n0.625727 0.122819 0.625727 Ba\n0.625727 0.625727 0.122819 Ba\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Cd",
"Ru"
],
"chemical_system": "Ba-Cd-Ru",
"density": 5.597232888103113,
"density_atomic": 0.02651374704955641,
"volume": 226.29770091664142,
"volume_molar": 22.713276809739927,
"formula_full": "Ba4 Cd1 Ru1",
"formula_reduced": "Ba4CdRu",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.4488756883333333,
"spacegroup": 216
},
{
"id": "jvasp-66553",
"created_at": "2022-09-04T14:36:16.340415Z",
"updated_at": "2022-09-04T14:36:16.340435Z",
"structure_string": "Ba4 Cd1 Rh1\n1.0\n0.000000 4.851116 4.851116\n4.851116 -0.000000 4.851116\n4.851116 4.851116 -0.000000\nBa Cd Rh\n4 1 1\ndirect\n0.122634 0.625790 0.625790 Ba\n0.625790 0.625790 0.625790 Ba\n0.625790 0.122634 0.625790 Ba\n0.625790 0.625790 0.122634 Ba\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Cd",
"Rh"
],
"chemical_system": "Ba-Cd-Rh",
"density": 5.560864751073997,
"density_atomic": 0.026278240069364363,
"volume": 228.3257929055495,
"volume_molar": 22.916834400263806,
"formula_full": "Ba4 Cd1 Rh1",
"formula_reduced": "Ba4CdRh",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.1111877716666666,
"spacegroup": 216
},
{
"id": "jvasp-66340",
"created_at": "2022-09-04T14:35:59.828254Z",
"updated_at": "2022-09-04T14:35:59.828281Z",
"structure_string": "Ba4 Cd1 Re1\n1.0\n-0.000000 4.781123 4.781123\n4.781123 0.000000 4.781123\n4.781123 4.781123 0.000000\nBa Cd Re\n4 1 1\ndirect\n0.122249 0.625917 0.625917 Ba\n0.625917 0.625917 0.625917 Ba\n0.625917 0.122249 0.625917 Ba\n0.625917 0.625917 0.122249 Ba\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Re\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Cd",
"Re"
],
"chemical_system": "Ba-Cd-Re",
"density": 6.441504348956993,
"density_atomic": 0.027449314616353367,
"volume": 218.5846926912122,
"volume_molar": 21.939129789463717,
"formula_full": "Ba4 Cd1 Re1",
"formula_reduced": "Ba4CdRe",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.9480619383333332,
"spacegroup": 216
},
{
"id": "jvasp-64028",
"created_at": "2022-09-04T14:36:06.365776Z",
"updated_at": "2022-09-04T14:36:06.365801Z",
"structure_string": "Ba4 Cd1 Pt1\n1.0\n-0.000000 4.854806 4.854806\n4.854806 0.000000 4.854806\n4.854806 4.854806 -0.000000\nBa Cd Pt\n4 1 1\ndirect\n0.121910 0.626031 0.626031 Ba\n0.626031 0.626031 0.626031 Ba\n0.626031 0.121910 0.626031 Ba\n0.626031 0.626031 0.121910 Ba\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"Cd",
"Pt"
],
"chemical_system": "Ba-Cd-Pt",
"density": 6.2170511464124525,
"density_atomic": 0.02621836557207685,
"volume": 228.84721717322208,
"volume_molar": 22.969169239190542,
"formula_full": "Ba4 Cd1 Pt1",
"formula_reduced": "Ba4CdPt",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0275741716666666,
"spacegroup": 216
}
]
}