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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=1254",
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"results": [
{
"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,
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"density": 4.806264376854768,
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"volume": 433.7589736140789,
"volume_molar": 16.32598496885693,
"formula_full": "Ba4 Cd4 S8",
"formula_reduced": "BaCdS2",
"formula_anonymous": "ABC2",
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"spacegroup": 62
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{
"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": [
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"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-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-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,
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"elements": [
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"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-69256",
"created_at": "2022-09-04T14:36:03.108578Z",
"updated_at": "2022-09-04T14:36:03.108605Z",
"structure_string": "Ba2 Cd1 Sb1\n1.0\n0.000000 4.208159 4.208159\n4.208159 0.000000 4.208159\n4.208159 4.208159 -0.000000\nBa Cd Sb\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 4,
"nelements": 3,
"elements": [
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],
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"density": 5.6690608798690665,
"density_atomic": 0.02683821165027582,
"volume": 149.04122719215874,
"volume_molar": 22.438681229857988,
"formula_full": "Ba2 Cd1 Sb1",
"formula_reduced": "Ba2CdSb",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"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-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,
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"elements": [
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"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-65560",
"created_at": "2022-09-04T14:36:18.618283Z",
"updated_at": "2022-09-04T14:36:18.618299Z",
"structure_string": "Ba1 Cd1 Sb2\n1.0\n4.233490 -0.000000 0.000000\n-0.000000 4.234146 0.000000\n0.000000 0.000000 7.086037\nBa Cd Sb\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Ba\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.704781 Sb\n0.000000 0.000000 0.295219 Sb\n",
"nsites": 4,
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"elements": [
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"Cd",
"Sb"
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"density": 6.448451712632013,
"density_atomic": 0.03149141740099751,
"volume": 127.01873494818618,
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"formula_full": "Ba1 Cd1 Sb2",
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"formula_anonymous": "ABC2",
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"spacegroup": 123
},
{
"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,
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"density": 6.309931274198918,
"density_atomic": 0.03081494417305652,
"volume": 259.61429477438134,
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"formula_full": "Ba2 Cd2 Sb4",
"formula_reduced": "BaCdSb2",
"formula_anonymous": "ABC2",
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"spacegroup": 139
},
{
"id": "jvasp-69358",
"created_at": "2022-09-04T14:35:48.834770Z",
"updated_at": "2022-09-04T14:35:48.834802Z",
"structure_string": "Ba1 Cd2 Se1\n1.0\n4.277670 0.000000 0.000000\n0.000000 4.277670 0.000000\n0.000000 0.000000 7.105150\nBa Cd Se\n1 2 1\ndirect\n0.500000 0.500000 0.315513 Ba\n0.000000 0.000000 0.879575 Cd\n0.500000 0.500000 0.833130 Cd\n0.000000 0.000000 0.471782 Se\n",
"nsites": 4,
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"density": 5.633875031738501,
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"volume": 130.0133075374288,
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"formula_full": "Ba1 Cd2 Se1",
"formula_reduced": "BaCd2Se",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.9999999999980616e-06,
"spacegroup": 99
},
{
"id": "jvasp-66578",
"created_at": "2022-09-04T14:35:57.051452Z",
"updated_at": "2022-09-04T14:35:57.051477Z",
"structure_string": "Ba1 Cd1 Se1\n1.0\n0.000000 3.857573 3.857573\n3.857573 -0.000000 3.857573\n3.857573 3.857573 -0.000000\nBa Cd Se\n1 1 1\ndirect\n0.749999 0.749999 0.749999 Ba\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Se\n",
"nsites": 3,
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"density": 4.754159011582396,
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"formula_full": "Ba1 Cd1 Se1",
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"formula_anonymous": "ABC",
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"spacegroup": 216
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]
}