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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=3576",
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"results": [
{
"id": "jvasp-15048",
"created_at": "2022-09-04T14:36:40.719014Z",
"updated_at": "2022-09-04T14:36:40.719032Z",
"structure_string": "Y2 Ir4\n1.0\n4.644425 0.000000 2.681460\n1.548141 4.378806 2.681460\n0.000000 0.000000 5.362920\nY Ir\n2 4\ndirect\n0.125000 0.125000 0.125000 Y\n0.874999 0.875001 0.875000 Y\n-0.000000 0.500000 0.500000 Ir\n0.499999 -0.000000 0.500000 Ir\n0.499999 0.500000 0.000000 Ir\n0.499999 0.500000 0.500000 Ir\n",
"nsites": 6,
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"elements": [
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"Ir"
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"chemical_system": "Ir-Y",
"density": 14.413291989162099,
"density_atomic": 0.05501261294841986,
"volume": 109.06589740839313,
"volume_molar": 10.946836438484379,
"formula_full": "Y2 Ir4",
"formula_reduced": "YIr2",
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"spacegroup": 227
},
{
"id": "jvasp-19768",
"created_at": "2022-09-04T14:38:32.097224Z",
"updated_at": "2022-09-04T14:38:32.097252Z",
"structure_string": "Yb2 Ir4\n1.0\n4.605978 -0.000000 2.659263\n1.535326 4.342558 2.659263\n-0.000000 -0.000000 5.318525\nYb Ir\n2 4\ndirect\n0.125000 0.125000 0.125000 Yb\n0.875001 0.875000 0.874999 Yb\n0.000000 0.500000 0.500000 Ir\n0.500000 0.000000 0.500000 Ir\n0.500001 0.500000 -0.000001 Ir\n0.500001 0.500000 0.499999 Ir\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Yb",
"Ir"
],
"chemical_system": "Ir-Yb",
"density": 17.403837448423804,
"density_atomic": 0.056401747300207854,
"volume": 106.37968302761941,
"volume_molar": 10.677223753275118,
"formula_full": "Yb2 Ir4",
"formula_reduced": "YbIr2",
"formula_anonymous": "AB2",
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"spacegroup": 227
},
{
"id": "jvasp-78664",
"created_at": "2022-09-04T14:36:43.162589Z",
"updated_at": "2022-09-04T14:36:43.162599Z",
"structure_string": "Yb1 Ir1\n1.0\n3.333316 0.000000 -0.000000\n0.000000 3.333316 0.000000\n-0.000000 0.000000 3.333316\nYb Ir\n1 1\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500001 0.500001 0.500001 Ir\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Yb",
"Ir"
],
"chemical_system": "Ir-Yb",
"density": 16.376390452288742,
"density_atomic": 0.05400084240876104,
"volume": 37.0364592622637,
"volume_molar": 11.151938546467889,
"formula_full": "Yb1 Ir1",
"formula_reduced": "YbIr",
"formula_anonymous": "AB",
"energy_above_hull": 1.0220208999999998,
"spacegroup": 221
},
{
"id": "jvasp-79989",
"created_at": "2022-09-04T14:37:14.145650Z",
"updated_at": "2022-09-04T14:37:14.145666Z",
"structure_string": "Y2 Zn1 Ir1\n1.0\n0.000000 3.479336 3.479336\n3.479336 -0.000000 3.479336\n3.479336 3.479336 -0.000000\nY Zn Ir\n2 1 1\ndirect\n0.500001 0.500001 0.500001 Y\n0.000000 0.000000 0.000000 Y\n0.750001 0.750001 0.750001 Zn\n0.249999 0.249999 0.249999 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Zn",
"Ir"
],
"chemical_system": "Ir-Y-Zn",
"density": 8.583334094805135,
"density_atomic": 0.04748329887548706,
"volume": 84.24014537172297,
"volume_molar": 12.682650326784458,
"formula_full": "Y2 Zn1 Ir1",
"formula_reduced": "Y2ZnIr",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.0317281,
"spacegroup": 225
},
{
"id": "jvasp-41506",
"created_at": "2022-09-04T14:37:50.802158Z",
"updated_at": "2022-09-04T14:37:50.802177Z",
"structure_string": "Zn3 Ir1\n1.0\n-1.864384 1.864384 4.071942\n1.864384 -1.864384 4.071942\n1.864384 1.864384 -4.071942\nZn Ir\n3 1\ndirect\n0.749998 0.250000 0.499998 Zn\n0.250000 0.749998 0.499998 Zn\n0.500000 0.500000 0.000000 Zn\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zn",
"Ir"
],
"chemical_system": "Ir-Zn",
"density": 11.393186484582012,
"density_atomic": 0.07065252416182827,
"volume": 56.61510395351306,
"volume_molar": 8.523603128752205,
"formula_full": "Zn3 Ir1",
"formula_reduced": "Zn3Ir",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-109917",
"created_at": "2022-09-04T14:37:52.732431Z",
"updated_at": "2022-09-04T14:37:52.732452Z",
"structure_string": "Zr1 Zn1 Ir2\n1.0\n3.889360 -0.000000 2.245523\n1.296453 3.666924 2.245523\n-0.000000 -0.000000 4.491046\nZr Zn Ir\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.499999 0.500000 Zn\n0.250000 0.250000 0.250000 Ir\n0.750000 0.749999 0.750000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Zn",
"Ir"
],
"chemical_system": "Ir-Zn-Zr",
"density": 14.027251658152435,
"density_atomic": 0.0624499989764889,
"volume": 64.05124204254855,
"volume_molar": 9.643139885826432,
"formula_full": "Zr1 Zn1 Ir2",
"formula_reduced": "ZrZnIr2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.811569275,
"spacegroup": 225
},
{
"id": "jvasp-18947",
"created_at": "2022-09-04T14:37:14.702155Z",
"updated_at": "2022-09-04T14:37:14.702176Z",
"structure_string": "Zr2 Ir4\n1.0\n4.553002 0.000000 2.628676\n1.517667 4.292611 2.628676\n-0.000000 0.000000 5.257353\nZr Ir\n2 4\ndirect\n0.125000 0.125000 0.125000 Zr\n0.875000 0.875000 0.875001 Zr\n0.000000 0.500000 0.500000 Ir\n0.500000 -0.000000 0.500000 Ir\n0.500000 0.500000 0.000001 Ir\n0.500000 0.500000 0.500000 Ir\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Zr",
"Ir"
],
"chemical_system": "Ir-Zr",
"density": 15.374017995581477,
"density_atomic": 0.05839353092862515,
"volume": 102.75110794950635,
"volume_molar": 10.313027255298039,
"formula_full": "Zr2 Ir4",
"formula_reduced": "ZrIr2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.776675566666666,
"spacegroup": 227
},
{
"id": "jvasp-7711",
"created_at": "2022-09-04T14:36:49.699290Z",
"updated_at": "2022-09-04T14:36:49.699323Z",
"structure_string": "Zr1 Ir1\n1.0\n3.307878 0.000000 -0.000000\n0.000000 3.307878 0.000000\n0.000000 0.000000 3.307878\nZr Ir\n1 1\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 2,
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"elements": [
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"Ir"
],
"chemical_system": "Ir-Zr",
"density": 13.003591501195809,
"density_atomic": 0.055256267394486275,
"volume": 36.194989171483,
"volume_molar": 10.89856597986732,
"formula_full": "Zr1 Ir1",
"formula_reduced": "ZrIr",
"formula_anonymous": "AB",
"energy_above_hull": 2.5421428000000006,
"spacegroup": 221
},
{
"id": "jvasp-79505",
"created_at": "2022-09-04T14:36:50.373626Z",
"updated_at": "2022-09-04T14:36:50.373646Z",
"structure_string": "Zr1 Ir3\n1.0\n3.985602 0.000000 -0.000000\n-0.000000 3.985602 0.000000\n0.000000 -0.000000 3.985602\nZr Ir\n1 3\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.000000 Ir\n0.500000 0.000000 0.500000 Ir\n0.000000 0.500000 0.500000 Ir\n",
"nsites": 4,
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"elements": [
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"Ir"
],
"chemical_system": "Ir-Zr",
"density": 17.51711173919386,
"density_atomic": 0.06317979420611887,
"volume": 63.31138064410799,
"volume_molar": 9.531751148718945,
"formula_full": "Zr1 Ir3",
"formula_reduced": "ZrIr3",
"formula_anonymous": "AB3",
"energy_above_hull": 4.34180945,
"spacegroup": 221
},
{
"id": "jvasp-7798",
"created_at": "2022-09-04T14:37:06.585727Z",
"updated_at": "2022-09-04T14:37:06.585749Z",
"structure_string": "Zr1 Ir3\n1.0\n3.985299 0.000000 0.000000\n0.000000 3.985299 -0.000000\n0.000000 -0.000000 3.985299\nZr Ir\n1 3\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.000000 Ir\n0.500000 0.000000 0.500000 Ir\n0.000000 0.500000 0.500000 Ir\n",
"nsites": 4,
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"elements": [
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"Ir"
],
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"density": 17.52110749088585,
"density_atomic": 0.06319420587245732,
"volume": 63.29694225564068,
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"formula_full": "Zr1 Ir3",
"formula_reduced": "ZrIr3",
"formula_anonymous": "AB3",
"energy_above_hull": 4.34175945,
"spacegroup": 221
},
{
"id": "jvasp-86794",
"created_at": "2022-09-04T14:36:00.892471Z",
"updated_at": "2022-09-04T14:36:00.892491Z",
"structure_string": "Zr4 Ir4\n1.0\n3.392922 -0.000000 -0.582894\n0.000000 4.358576 0.000000\n-0.021888 0.000000 10.038834\nZr Ir\n4 4\ndirect\n0.695084 0.750001 0.390168 Zr\n0.438774 0.750001 0.877548 Zr\n0.304915 0.250000 0.609832 Zr\n0.561225 0.250000 0.122452 Zr\n0.056503 0.750001 0.113006 Ir\n0.831549 0.750001 0.663099 Ir\n0.943496 0.250000 0.886994 Ir\n0.168450 0.250000 0.336901 Ir\n",
"nsites": 8,
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"Ir"
],
"chemical_system": "Ir-Zr",
"density": 12.686233328694335,
"density_atomic": 0.0539077147244063,
"volume": 148.4017647733463,
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"formula_full": "Zr4 Ir4",
"formula_reduced": "ZrIr",
"formula_anonymous": "AB",
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"spacegroup": 63
},
{
"id": "jvasp-86192",
"created_at": "2022-09-04T14:35:49.155422Z",
"updated_at": "2022-09-04T14:35:49.155449Z",
"structure_string": "Zr4 Ir4\n1.0\n3.392747 0.000000 -0.582864\n0.000000 4.358677 -0.000000\n-0.021785 -0.000000 10.038910\nZr Ir\n4 4\ndirect\n0.695086 0.750000 0.390169 Zr\n0.438773 0.750000 0.877543 Zr\n0.304916 0.250000 0.609832 Zr\n0.561229 0.250000 0.122458 Zr\n0.056500 0.750000 0.113000 Ir\n0.831547 0.750000 0.663092 Ir\n0.943502 0.250000 0.887000 Ir\n0.168455 0.250000 0.336909 Ir\n",
"nsites": 8,
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"elements": [
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"formula_full": "Zr4 Ir4",
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"spacegroup": 63
}
]
}