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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=3565",
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"results": [
{
"id": "jvasp-41931",
"created_at": "2022-09-04T14:37:36.198638Z",
"updated_at": "2022-09-04T14:37:36.198654Z",
"structure_string": "Ir2 Ru6\n1.0\n2.735611 -4.738217 -0.000000\n2.735611 4.738217 -0.000000\n0.000000 0.000000 4.324424\nIr Ru\n2 6\ndirect\n0.333333 0.666667 0.250000 Ir\n0.666667 0.333333 0.749999 Ir\n0.165693 0.834307 0.749999 Ru\n0.668613 0.834306 0.749999 Ru\n0.165693 0.331387 0.749999 Ru\n0.834307 0.165693 0.250000 Ru\n0.331387 0.165693 0.250000 Ru\n0.834306 0.668613 0.250000 Ru\n",
"nsites": 8,
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"elements": [
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],
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"density": 14.67679444572653,
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"formula_reduced": "IrRu3",
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"spacegroup": 194
},
{
"id": "jvasp-39471",
"created_at": "2022-09-04T14:37:53.736929Z",
"updated_at": "2022-09-04T14:37:53.736946Z",
"structure_string": "Ir1 Ru1\n1.0\n1.372469 -2.377187 -0.000000\n1.372469 2.377187 0.000000\n0.000000 0.000000 4.363124\nIr Ru\n1 1\ndirect\n0.333333 0.666667 0.000000 Ir\n0.666667 0.333333 0.500000 Ru\n",
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"elements": [
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"Ru"
],
"chemical_system": "Ir-Ru",
"density": 17.106000044141908,
"density_atomic": 0.07024841888115632,
"volume": 28.470391673633625,
"volume_molar": 8.572635307547683,
"formula_full": "Ir1 Ru1",
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"energy_above_hull": 3.0221408,
"spacegroup": 187
},
{
"id": "jvasp-106362",
"created_at": "2022-09-04T14:38:38.910342Z",
"updated_at": "2022-09-04T14:38:38.910350Z",
"structure_string": "Ir1 Ru1\n1.0\n2.601449 -0.001207 3.936283\n1.182303 2.317261 3.936283\n-0.001972 -0.001207 4.718247\nIr Ru\n1 1\ndirect\n0.000000 0.000000 0.000000 Ir\n0.500001 0.499999 0.500000 Ru\n",
"nsites": 2,
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"elements": [
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"Ru"
],
"chemical_system": "Ir-Ru",
"density": 17.103724025456298,
"density_atomic": 0.07023907206053225,
"volume": 28.474180272148157,
"volume_molar": 8.573776081224565,
"formula_full": "Ir1 Ru1",
"formula_reduced": "IrRu",
"formula_anonymous": "AB",
"energy_above_hull": 3.0325058,
"spacegroup": 166
},
{
"id": "jvasp-41877",
"created_at": "2022-09-04T14:37:32.699044Z",
"updated_at": "2022-09-04T14:37:32.699069Z",
"structure_string": "Sc2 Ir1 Ru1\n1.0\n0.000000 3.208262 3.208262\n3.208262 0.000000 3.208262\n3.208262 3.208262 -0.000000\nSc Ir Ru\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Sc\n0.250000 0.250000 0.250000 Ir\n0.750000 0.750000 0.750000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Ir",
"Ru"
],
"chemical_system": "Ir-Ru-Sc",
"density": 9.634602187378178,
"density_atomic": 0.06056483154452069,
"volume": 66.04492901230368,
"volume_molar": 9.943296474907514,
"formula_full": "Sc2 Ir1 Ru1",
"formula_reduced": "Sc2IrRu",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.348693025,
"spacegroup": 225
},
{
"id": "jvasp-80089",
"created_at": "2022-09-04T14:36:51.319221Z",
"updated_at": "2022-09-04T14:36:51.319245Z",
"structure_string": "Sm2 Ir1 Ru1\n1.0\n0.000000 3.477192 3.477192\n3.477192 0.000000 3.477192\n3.477192 3.477192 -0.000000\nSm Ir Ru\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sm\n0.499999 0.499999 0.499999 Sm\n0.250001 0.250001 0.250001 Ir\n0.750000 0.750000 0.750000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sm",
"Ir",
"Ru"
],
"chemical_system": "Ir-Ru-Sm",
"density": 11.730719476831554,
"density_atomic": 0.04757118615098222,
"volume": 84.08451257247893,
"volume_molar": 12.659219261186445,
"formula_full": "Sm2 Ir1 Ru1",
"formula_reduced": "Sm2IrRu",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.9135773375,
"spacegroup": 225
},
{
"id": "jvasp-40390",
"created_at": "2022-09-04T14:37:45.771972Z",
"updated_at": "2022-09-04T14:37:45.772003Z",
"structure_string": "Tb2 Ir1 Ru1\n1.0\n-0.000000 3.417809 3.417809\n3.417809 -0.000000 3.417809\n3.417809 3.417809 -0.000000\nTb Ir Ru\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500001 0.500001 0.500001 Tb\n0.250000 0.250000 0.250000 Ir\n0.750000 0.750000 0.750000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tb",
"Ir",
"Ru"
],
"chemical_system": "Ir-Ru-Tb",
"density": 12.709100384167922,
"density_atomic": 0.050094105778699966,
"volume": 79.84971361043442,
"volume_molar": 12.021655375193099,
"formula_full": "Tb2 Ir1 Ru1",
"formula_reduced": "Tb2IrRu",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.8271146,
"spacegroup": 225
},
{
"id": "jvasp-102131",
"created_at": "2022-09-04T14:36:42.024473Z",
"updated_at": "2022-09-04T14:36:42.024495Z",
"structure_string": "Ti2 Ir1 Ru1\n1.0\n3.789493 0.000000 2.187865\n1.263164 3.572768 2.187865\n0.000000 0.000000 4.375730\nTi Ir Ru\n2 1 1\ndirect\n0.249999 0.250000 0.250000 Ti\n0.749998 0.750000 0.749999 Ti\n0.499999 0.500000 0.499999 Ir\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Ir",
"Ru"
],
"chemical_system": "Ir-Ru-Ti",
"density": 10.903996459642302,
"density_atomic": 0.06751861883980573,
"volume": 59.242918008888424,
"volume_molar": 8.919229782066626,
"formula_full": "Ti2 Ir1 Ru1",
"formula_reduced": "Ti2IrRu",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.986769566666667,
"spacegroup": 225
},
{
"id": "jvasp-41522",
"created_at": "2022-09-04T14:37:39.362034Z",
"updated_at": "2022-09-04T14:37:39.362055Z",
"structure_string": "Tm2 Ir1 Ru1\n1.0\n0.000000 3.354368 3.354368\n3.354368 0.000000 3.354368\n3.354368 3.354368 0.000000\nTm Ir Ru\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Tm\n0.500001 0.500001 0.500001 Tm\n0.250000 0.250000 0.250000 Ir\n0.749999 0.749999 0.749999 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tm",
"Ir",
"Ru"
],
"chemical_system": "Ir-Ru-Tm",
"density": 13.884277936994433,
"density_atomic": 0.05299048283000582,
"volume": 75.48525294310025,
"volume_molar": 11.36457046318885,
"formula_full": "Tm2 Ir1 Ru1",
"formula_reduced": "Tm2IrRu",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.753355025,
"spacegroup": 225
},
{
"id": "jvasp-41817",
"created_at": "2022-09-04T14:37:37.414535Z",
"updated_at": "2022-09-04T14:37:37.414553Z",
"structure_string": "Ir4 S6\n1.0\n-6.051712 -0.000001 -0.000001\n3.025856 -5.240937 0.000000\n-3.025857 1.746979 5.285744\nIr S\n4 6\ndirect\n0.647964 0.352036 0.056107 Ir\n0.852035 0.147964 0.443894 Ir\n0.147964 0.852035 0.556107 Ir\n0.352035 0.647964 0.943893 Ir\n0.546898 0.750000 0.250000 S\n0.250000 0.046899 0.250000 S\n0.953100 0.453101 0.250000 S\n0.046899 0.546899 0.750000 S\n0.749999 0.953101 0.750000 S\n0.453101 0.249999 0.750000 S\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Ir",
"S"
],
"chemical_system": "Ir-S",
"density": 9.521287505460661,
"density_atomic": 0.05964947349632288,
"volume": 167.64607319822287,
"volume_molar": 10.095882506609614,
"formula_full": "Ir4 S6",
"formula_reduced": "Ir2S3",
"formula_anonymous": "A2B3",
"energy_above_hull": 3.09751644,
"spacegroup": 167
},
{
"id": "jvasp-15889",
"created_at": "2022-09-04T14:37:55.516674Z",
"updated_at": "2022-09-04T14:37:55.516702Z",
"structure_string": "Sb2 Ir2\n1.0\n2.035282 -3.525212 0.000000\n2.035282 3.525212 0.000000\n0.000000 -0.000000 5.621321\nSb Ir\n2 2\ndirect\n0.666666 0.333333 0.250000 Sb\n0.333333 0.666666 0.750000 Sb\n0.000000 0.000000 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sb",
"Ir"
],
"chemical_system": "Ir-Sb",
"density": 12.927028774059252,
"density_atomic": 0.04958859210251565,
"volume": 80.66371377777185,
"volume_molar": 12.144205964852334,
"formula_full": "Sb2 Ir2",
"formula_reduced": "SbIr",
"formula_anonymous": "AB",
"energy_above_hull": 1.9975136,
"spacegroup": 194
},
{
"id": "jvasp-9083",
"created_at": "2022-09-04T14:37:16.521113Z",
"updated_at": "2022-09-04T14:37:16.521140Z",
"structure_string": "Sb8 Ir4\n1.0\n0.000000 6.709150 -0.007532\n6.651956 0.000000 0.000000\n0.000000 -2.863545 -6.173406\nSb Ir\n8 4\ndirect\n0.149165 0.134859 0.877330 Sb\n0.850834 0.634859 0.622671 Sb\n0.850835 0.865142 0.122670 Sb\n0.149165 0.365141 0.377329 Sb\n0.344376 0.637367 0.176999 Sb\n0.655624 0.137367 0.323001 Sb\n0.655624 0.362634 0.823002 Sb\n0.344376 0.862634 0.676999 Sb\n0.270948 0.499066 0.789307 Ir\n0.729051 0.999066 0.710694 Ir\n0.729051 0.500935 0.210694 Ir\n0.270948 0.000935 0.289306 Ir\n",
"nsites": 12,
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"elements": [
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"Ir"
],
"chemical_system": "Ir-Sb",
"density": 10.499429996654177,
"density_atomic": 0.043532483145660154,
"volume": 275.65622571650397,
"volume_molar": 13.833671605292658,
"formula_full": "Sb8 Ir4",
"formula_reduced": "Sb2Ir",
"formula_anonymous": "AB2",
"energy_above_hull": 2.2067677666666663,
"spacegroup": 14
},
{
"id": "jvasp-9081",
"created_at": "2022-09-04T14:38:11.313919Z",
"updated_at": "2022-09-04T14:38:11.313956Z",
"structure_string": "Sb12 Ir4\n1.0\n7.683611 0.000000 -2.716567\n-3.841805 6.654203 -2.716567\n-0.000000 -0.000000 8.149700\nSb Ir\n12 4\ndirect\n0.507013 0.846400 0.660613 Sb\n0.185787 0.846400 0.339386 Sb\n0.814212 0.153599 0.660613 Sb\n0.153599 0.339386 0.492986 Sb\n0.492986 0.153599 0.339386 Sb\n0.153599 0.660613 0.814211 Sb\n0.339386 0.185788 0.846400 Sb\n0.846400 0.660613 0.507013 Sb\n0.660613 0.814212 0.153599 Sb\n0.846400 0.339386 0.185787 Sb\n0.660613 0.507014 0.846400 Sb\n0.339386 0.492986 0.153599 Sb\n0.500000 -0.000000 -0.000000 Ir\n0.000000 0.000000 0.500000 Ir\n-0.000000 0.500000 -0.000000 Ir\n0.499999 0.500000 0.499999 Ir\n",
"nsites": 16,
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"elements": [
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"Ir"
],
"chemical_system": "Ir-Sb",
"density": 8.886865063302132,
"density_atomic": 0.03839873746034608,
"volume": 416.6803665491088,
"volume_molar": 15.683173870544556,
"formula_full": "Sb12 Ir4",
"formula_reduced": "Sb3Ir",
"formula_anonymous": "AB3",
"energy_above_hull": 2.28567985,
"spacegroup": 204
}
]
}