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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=1074",
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"results": [
{
"id": "jvasp-58259",
"created_at": "2022-09-04T14:37:10.427183Z",
"updated_at": "2022-09-04T14:37:10.427194Z",
"structure_string": "Te8 Ir4\n1.0\n6.565190 0.000000 -0.000000\n-0.000000 6.565190 0.000000\n0.000000 -0.000000 6.565190\nTe Ir\n8 4\ndirect\n0.366618 0.133382 0.866618 Te\n0.133382 0.866618 0.366618 Te\n0.866618 0.366618 0.133382 Te\n0.633382 0.633382 0.633382 Te\n0.366618 0.366618 0.366618 Te\n0.133382 0.633382 0.866618 Te\n0.866618 0.133382 0.633382 Te\n0.633382 0.866618 0.133382 Te\n0.000000 0.500000 0.500000 Ir\n0.500000 0.500000 0.000000 Ir\n0.500000 0.000000 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 12,
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"elements": [
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"density": 10.502185194416844,
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"volume": 282.9709793942464,
"volume_molar": 14.200758907560095,
"formula_full": "Te8 Ir4",
"formula_reduced": "Te2Ir",
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{
"id": "jvasp-16346",
"created_at": "2022-09-04T14:38:08.488147Z",
"updated_at": "2022-09-04T14:38:08.488175Z",
"structure_string": "Te4 Ir2\n1.0\n6.152571 -0.000000 0.000000\n-0.000000 6.152571 0.000000\n0.000000 0.000000 4.200035\nTe Ir\n4 2\ndirect\n0.693674 0.693674 0.000000 Te\n0.193674 0.806326 0.499999 Te\n0.306326 0.306326 0.000000 Te\n0.806326 0.193674 0.499999 Te\n0.500000 0.500000 0.499999 Ir\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 6,
"nelements": 2,
"elements": [
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"Ir"
],
"chemical_system": "Ir-Te",
"density": 9.345991826289836,
"density_atomic": 0.03773853810148722,
"volume": 158.98867051671905,
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"formula_full": "Te4 Ir2",
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"spacegroup": 136
},
{
"id": "jvasp-20653",
"created_at": "2022-09-04T14:38:08.730834Z",
"updated_at": "2022-09-04T14:38:08.730866Z",
"structure_string": "Te2 Ir1\n1.0\n1.990199 -3.447126 0.000000\n1.990199 3.447126 -0.000000\n-0.000000 -0.000000 5.528225\nTe Ir\n2 1\ndirect\n0.333333 0.666667 0.251529 Te\n0.666667 0.333333 0.748470 Te\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 3,
"nelements": 2,
"elements": [
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"Ir"
],
"chemical_system": "Ir-Te",
"density": 9.794724182724776,
"density_atomic": 0.03955049165820381,
"volume": 75.85240724504928,
"volume_molar": 15.226462447151018,
"formula_full": "Te2 Ir1",
"formula_reduced": "Te2Ir",
"formula_anonymous": "AB2",
"energy_above_hull": 1.8259888777777773,
"spacegroup": 164
},
{
"id": "jvasp-602",
"created_at": "2022-09-04T14:37:38.167805Z",
"updated_at": "2022-09-04T14:37:38.167831Z",
"structure_string": "Te2 Ir1\n1.0\n1.990199 -3.447126 0.000000\n1.990199 3.447126 0.000000\n0.000000 0.000000 5.528225\nTe Ir\n2 1\ndirect\n0.333333 0.666667 0.251529 Te\n0.666667 0.333333 0.748470 Te\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Te",
"Ir"
],
"chemical_system": "Ir-Te",
"density": 9.794724182724776,
"density_atomic": 0.03955049165820381,
"volume": 75.85240724504928,
"volume_molar": 15.226462447151018,
"formula_full": "Te2 Ir1",
"formula_reduced": "Te2Ir",
"formula_anonymous": "AB2",
"energy_above_hull": 1.8259888777777773,
"spacegroup": 164
},
{
"id": "jvasp-99496",
"created_at": "2022-09-04T14:36:36.789111Z",
"updated_at": "2022-09-04T14:36:36.789133Z",
"structure_string": "Zr2 Tc1 Ir1\n1.0\n4.027830 -0.000000 2.325469\n1.342610 3.797475 2.325469\n-0.000000 -0.000000 4.650938\nZr Tc Ir\n2 1 1\ndirect\n0.750000 0.749999 0.750001 Zr\n0.250000 0.250000 0.250000 Zr\n0.000000 0.000000 0.000000 Tc\n0.500000 0.499999 0.500001 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Tc",
"Ir"
],
"chemical_system": "Ir-Tc-Zr",
"density": 11.033058892573361,
"density_atomic": 0.05622809701366308,
"volume": 71.13881159855053,
"volume_molar": 10.710198423639797,
"formula_full": "Zr2 Tc1 Ir1",
"formula_reduced": "Zr2TcIr",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.4785279000000005,
"spacegroup": 225
},
{
"id": "jvasp-51185",
"created_at": "2022-09-04T14:36:39.597342Z",
"updated_at": "2022-09-04T14:36:39.597368Z",
"structure_string": "Tl1 Tc1 Ir2\n1.0\n0.000000 3.233482 3.233479\n3.233485 -0.000002 3.233481\n3.233484 3.233483 -0.000002\nTl Tc Ir\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Tc\n0.750000 0.750001 0.750000 Ir\n0.250000 0.250000 0.250000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tl",
"Tc",
"Ir"
],
"chemical_system": "Ir-Tc-Tl",
"density": 16.867416998434546,
"density_atomic": 0.05915864929860837,
"volume": 67.61479593304533,
"volume_molar": 10.179645464186862,
"formula_full": "Tl1 Tc1 Ir2",
"formula_reduced": "TlTcIr2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.677196574999999,
"spacegroup": 225
},
{
"id": "jvasp-39773",
"created_at": "2022-09-04T14:37:45.670346Z",
"updated_at": "2022-09-04T14:37:45.670381Z",
"structure_string": "Ti2 Tc1 Ir1\n1.0\n-0.000000 3.097309 3.097309\n3.097309 0.000000 3.097309\n3.097309 3.097309 -0.000000\nTi Tc Ir\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.499999 0.499999 0.499999 Ti\n0.750000 0.750000 0.750000 Tc\n0.250000 0.250000 0.250000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Tc",
"Ir"
],
"chemical_system": "Ir-Tc-Ti",
"density": 10.784441746202548,
"density_atomic": 0.0673095043009042,
"volume": 59.42697159257295,
"volume_molar": 8.94693969677489,
"formula_full": "Ti2 Tc1 Ir1",
"formula_reduced": "Ti2TcIr",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-100336",
"created_at": "2022-09-04T14:36:35.883554Z",
"updated_at": "2022-09-04T14:36:35.883570Z",
"structure_string": "Tc1 Ir1\n1.0\n2.757451 -0.000000 -0.000000\n-1.378725 2.388024 -0.000000\n0.000000 0.000000 4.387477\nTc Ir\n1 1\ndirect\n0.666666 0.333332 0.000000 Tc\n0.000000 0.000000 0.500000 Ir\n",
"nsites": 2,
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"elements": [
"Tc",
"Ir"
],
"chemical_system": "Ir-Tc",
"density": 16.680559057053117,
"density_atomic": 0.06922590656769317,
"volume": 28.890918142679464,
"volume_molar": 8.699258787042673,
"formula_full": "Tc1 Ir1",
"formula_reduced": "TcIr",
"formula_anonymous": "AB",
"energy_above_hull": 3.2483212999999997,
"spacegroup": 187
},
{
"id": "jvasp-42038",
"created_at": "2022-09-04T14:37:39.201864Z",
"updated_at": "2022-09-04T14:37:39.201890Z",
"structure_string": "Tc6 Ir2\n1.0\n2.765715 -4.790359 0.000000\n2.765715 4.790359 0.000000\n-0.000000 0.000000 4.363038\nTc Ir\n6 2\ndirect\n0.838942 0.677885 0.250000 Tc\n0.322113 0.161057 0.250000 Tc\n0.838942 0.161056 0.250000 Tc\n0.161057 0.322113 0.750000 Tc\n0.677885 0.838942 0.750000 Tc\n0.161056 0.838942 0.750000 Tc\n0.666666 0.333332 0.750000 Ir\n0.333332 0.666666 0.250000 Ir\n",
"nsites": 8,
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"elements": [
"Tc",
"Ir"
],
"chemical_system": "Ir-Tc",
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"density_atomic": 0.06919831335992799,
"volume": 115.60975422029168,
"volume_molar": 8.702727664295006,
"formula_full": "Tc6 Ir2",
"formula_reduced": "Tc3Ir",
"formula_anonymous": "AB3",
"energy_above_hull": 5.1844214,
"spacegroup": 194
},
{
"id": "jvasp-40437",
"created_at": "2022-09-04T14:38:04.361618Z",
"updated_at": "2022-09-04T14:38:04.361650Z",
"structure_string": "Tc2 Ir6\n1.0\n2.762909 -4.785499 -0.000000\n2.762909 4.785499 0.000000\n0.000000 -0.000000 4.396843\nTc Ir\n2 6\ndirect\n0.333333 0.666667 0.250000 Tc\n0.666667 0.333333 0.749999 Tc\n0.665660 0.832830 0.749999 Ir\n0.167171 0.334340 0.749999 Ir\n0.167171 0.832830 0.749999 Ir\n0.334340 0.167171 0.250000 Ir\n0.832830 0.665660 0.250000 Ir\n0.832830 0.167171 0.250000 Ir\n",
"nsites": 8,
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"elements": [
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],
"chemical_system": "Ir-Tc",
"density": 19.27052278285659,
"density_atomic": 0.06880582746175645,
"volume": 116.26922159240868,
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"formula_full": "Tc2 Ir6",
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"spacegroup": 194
},
{
"id": "jvasp-111301",
"created_at": "2022-09-04T14:38:49.910626Z",
"updated_at": "2022-09-04T14:38:49.910641Z",
"structure_string": "Tb2 Zn1 Ir1\n1.0\n4.269612 -0.000000 2.465061\n1.423204 4.025429 2.465061\n-0.000000 -0.000000 4.930123\nTb Zn Ir\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Tb\n0.749999 0.750000 0.750000 Tb\n0.000000 0.000000 0.000000 Zn\n0.499999 0.500000 0.500000 Ir\n",
"nsites": 4,
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"elements": [
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],
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"density": 11.277647244508858,
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"volume": 84.73412242374715,
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"formula_full": "Tb2 Zn1 Ir1",
"formula_reduced": "Tb2ZnIr",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-37325",
"created_at": "2022-09-04T14:38:00.630432Z",
"updated_at": "2022-09-04T14:38:00.630457Z",
"structure_string": "Tb1 Y1 Ir2\n1.0\n0.000000 3.431501 3.431501\n3.431501 0.000000 3.431501\n3.431501 3.431501 -0.000000\nTb Y Ir\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Tb\n0.750000 0.750000 0.750000 Y\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.500000 Ir\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ir-Tb-Y",
"density": 12.991700234103684,
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"formula_full": "Tb1 Y1 Ir2",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
}
]
}