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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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"chemical_system": "Ir-Y",
"density": 14.413291989162099,
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"volume": 109.06589740839313,
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"formula_full": "Y2 Ir4",
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{
"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,
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"elements": [
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"density_atomic": 0.05400084240876104,
"volume": 37.0364592622637,
"volume_molar": 11.151938546467889,
"formula_full": "Yb1 Ir1",
"formula_reduced": "YbIr",
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"spacegroup": 221
},
{
"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",
"energy_above_hull": 2.263690966666667,
"spacegroup": 227
},
{
"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-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,
"nelements": 2,
"elements": [
"Zr",
"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-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",
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"energy_above_hull": 2.5421428000000006,
"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-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,
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"elements": [
"Zr",
"Ir"
],
"chemical_system": "Ir-Zr",
"density": 15.374017995581477,
"density_atomic": 0.05839353092862515,
"volume": 102.75110794950635,
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"formula_full": "Zr2 Ir4",
"formula_reduced": "ZrIr2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.776675566666666,
"spacegroup": 227
},
{
"id": "jvasp-93855",
"created_at": "2022-09-04T14:36:31.644284Z",
"updated_at": "2022-09-04T14:36:31.644311Z",
"structure_string": "Zr4 Ir2\n1.0\n-3.260140 3.260140 -2.870664\n3.260140 -3.260140 -2.870664\n-3.260140 -3.260140 2.870664\nZr Ir\n4 2\ndirect\n0.831305 0.331305 0.162612 Zr\n0.168694 0.668694 0.837388 Zr\n0.668693 0.831305 0.500000 Zr\n0.331306 0.168694 0.500000 Zr\n0.749999 0.749999 0.000000 Ir\n0.250000 0.250000 0.000000 Ir\n",
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"volume": 122.04355649905683,
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"formula_full": "Zr4 Ir2",
"formula_reduced": "Zr2Ir",
"formula_anonymous": "AB2",
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"spacegroup": 140
},
{
"id": "jvasp-36662",
"created_at": "2022-09-04T14:37:32.256942Z",
"updated_at": "2022-09-04T14:37:32.256952Z",
"structure_string": "Zr2 Ir2\n1.0\n0.000000 3.635256 -0.006582\n4.442463 0.000000 0.000000\n0.000000 -0.008165 -4.442536\nZr Ir\n2 2\ndirect\n0.499994 0.250000 0.249993 Zr\n0.500009 0.749999 0.750007 Zr\n-0.000167 0.749999 0.250001 Ir\n0.000168 0.250000 0.750000 Ir\n",
"nsites": 4,
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"elements": [
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"density": 13.120504797496665,
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"volume": 71.74493067766286,
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"formula_full": "Zr2 Ir2",
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"spacegroup": 123
}
]
}