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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=4198",
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"results": [
{
"id": "jvasp-18730",
"created_at": "2022-09-04T14:37:02.493594Z",
"updated_at": "2022-09-04T14:37:02.493622Z",
"structure_string": "Ir2 W2\n1.0\n2.788629 0.000000 0.000000\n0.000000 4.487513 0.000000\n0.000000 0.000000 4.867524\nIr W\n2 2\ndirect\n0.500000 0.250000 0.323033 Ir\n0.500000 0.750000 0.676966 Ir\n0.000000 0.250000 0.827875 W\n0.000000 0.750000 0.172125 W\n",
"nsites": 4,
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"elements": [
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"W"
],
"chemical_system": "Ir-W",
"density": 20.503509772485817,
"density_atomic": 0.06566824814675194,
"volume": 60.91223860671615,
"volume_molar": 9.170551872408774,
"formula_full": "Ir2 W2",
"formula_reduced": "IrW",
"formula_anonymous": "AB",
"energy_above_hull": 4.14691555,
"spacegroup": 51
},
{
"id": "jvasp-22453",
"created_at": "2022-09-04T14:38:31.153167Z",
"updated_at": "2022-09-04T14:38:31.153194Z",
"structure_string": "Ir3 Se8\n1.0\n6.056862 -0.006231 -0.039707\n-0.039927 6.056734 -0.039707\n-0.006196 -0.006231 6.056989\nIr Se\n3 8\ndirect\n0.499999 0.000000 0.500000 Ir\n-0.000001 0.500000 0.500000 Ir\n0.500000 0.500000 -0.000000 Ir\n0.379560 0.115765 0.879052 Se\n0.115764 0.879051 0.379560 Se\n0.879051 0.379561 0.115764 Se\n0.373438 0.373439 0.373439 Se\n0.626560 0.626561 0.626561 Se\n0.120947 0.620439 0.884235 Se\n0.884234 0.120948 0.620439 Se\n0.620439 0.884234 0.120947 Se\n",
"nsites": 11,
"nelements": 2,
"elements": [
"Ir",
"Se"
],
"chemical_system": "Ir-Se",
"density": 9.030272577595428,
"density_atomic": 0.04950607891419228,
"volume": 222.19493527382852,
"volume_molar": 12.164447057982587,
"formula_full": "Ir3 Se8",
"formula_reduced": "Ir3Se8",
"formula_anonymous": "A3B8",
"energy_above_hull": 2.72385093030303,
"spacegroup": 148
},
{
"id": "jvasp-123673",
"created_at": "2022-09-04T14:38:52.665037Z",
"updated_at": "2022-09-04T14:38:52.665074Z",
"structure_string": "Ir1 Se2\n1.0\n1.862071 -3.221516 -0.013289\n1.858880 3.219674 0.000000\n0.023154 -0.013368 5.162128\nIr Se\n1 2\ndirect\n0.000000 0.333338 0.166667 Ir\n0.665505 0.666082 0.422060 Se\n0.334494 0.000576 0.911273 Se\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ir",
"Se"
],
"chemical_system": "Ir-Se",
"density": 9.398512052587844,
"density_atomic": 0.04849458572056079,
"volume": 61.86257610873984,
"volume_molar": 12.418171370101478,
"formula_full": "Ir1 Se2",
"formula_reduced": "IrSe2",
"formula_anonymous": "AB2",
"energy_above_hull": null,
"spacegroup": 164
},
{
"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-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,
"nelements": 2,
"elements": [
"Ir",
"Ru"
],
"chemical_system": "Ir-Ru",
"density": 14.67679444572653,
"density_atomic": 0.07136124764156622,
"volume": 112.105663289163,
"volume_molar": 8.438951054006303,
"formula_full": "Ir2 Ru6",
"formula_reduced": "IrRu3",
"formula_anonymous": "AB3",
"energy_above_hull": 4.51157065,
"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",
"nsites": 2,
"nelements": 2,
"elements": [
"Ir",
"Ru"
],
"chemical_system": "Ir-Ru",
"density": 17.106000044141908,
"density_atomic": 0.07024841888115632,
"volume": 28.470391673633625,
"volume_molar": 8.572635307547683,
"formula_full": "Ir1 Ru1",
"formula_reduced": "IrRu",
"formula_anonymous": "AB",
"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,
"nelements": 2,
"elements": [
"Ir",
"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-39451",
"created_at": "2022-09-04T14:38:03.348095Z",
"updated_at": "2022-09-04T14:38:03.348118Z",
"structure_string": "Ir3 Ru1\n1.0\n-1.931517 1.931517 3.866365\n1.931517 -1.931517 3.866365\n1.931517 1.931517 -3.866365\nIr Ru\n3 1\ndirect\n0.749999 0.250000 0.499999 Ir\n0.250000 0.749999 0.499999 Ir\n0.499998 0.499998 0.000000 Ir\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ir",
"Ru"
],
"chemical_system": "Ir-Ru",
"density": 19.504738343822574,
"density_atomic": 0.0693266284114322,
"volume": 57.697887401378175,
"volume_molar": 8.686619987143251,
"formula_full": "Ir3 Ru1",
"formula_reduced": "Ir3Ru",
"formula_anonymous": "AB3",
"energy_above_hull": 4.57863345,
"spacegroup": 139
},
{
"id": "jvasp-111365",
"created_at": "2022-09-04T14:38:44.081730Z",
"updated_at": "2022-09-04T14:38:44.081756Z",
"structure_string": "Ir1 Rh1\n1.0\n2.611749 -0.000283 3.937642\n1.186964 2.326446 3.937642\n-0.000462 -0.000283 4.725067\nIr Rh\n1 1\ndirect\n0.000000 0.000000 0.000000 Ir\n0.499999 0.500002 0.499999 Rh\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ir",
"Rh"
],
"chemical_system": "Ir-Rh",
"density": 17.065027513395584,
"density_atomic": 0.06964429875353823,
"volume": 28.717354267256393,
"volume_molar": 8.646997482610233,
"formula_full": "Ir1 Rh1",
"formula_reduced": "IrRh",
"formula_anonymous": "AB",
"energy_above_hull": 2.4839320500000004,
"spacegroup": 166
},
{
"id": "jvasp-40947",
"created_at": "2022-09-04T14:37:36.022922Z",
"updated_at": "2022-09-04T14:37:36.022953Z",
"structure_string": "Ir3 Rh1\n1.0\n-1.934002 1.934002 3.871797\n1.934002 -1.934002 3.871797\n1.934002 1.934002 -3.871797\nIr Rh\n3 1\ndirect\n0.749999 0.250000 0.499998 Ir\n0.250000 0.749999 0.499998 Ir\n0.500000 0.500000 0.000000 Ir\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ir",
"Rh"
],
"chemical_system": "Ir-Rh",
"density": 19.47996895036814,
"density_atomic": 0.0690515741134617,
"volume": 57.927716367876315,
"volume_molar": 8.721221546817677,
"formula_full": "Ir3 Rh1",
"formula_reduced": "Ir3Rh",
"formula_anonymous": "AB3",
"energy_above_hull": 4.180839075,
"spacegroup": 139
},
{
"id": "jvasp-109046",
"created_at": "2022-09-04T14:37:48.347476Z",
"updated_at": "2022-09-04T14:37:48.347486Z",
"structure_string": "Ir1 Rh3\n1.0\n3.505139 -0.004821 -3.143224\n-0.701764 3.434174 -3.143224\n0.003941 0.004821 4.708061\nIr Rh\n1 3\ndirect\n0.000000 0.000000 0.000000 Ir\n0.750000 0.250000 0.500001 Rh\n0.250001 0.749999 0.500000 Rh\n0.500001 0.500000 0.000001 Rh\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ir",
"Rh"
],
"chemical_system": "Ir-Rh",
"density": 14.654370934654382,
"density_atomic": 0.07046898204910551,
"volume": 56.762562530173135,
"volume_molar": 8.54580353637511,
"formula_full": "Ir1 Rh3",
"formula_reduced": "IrRh3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.313982525,
"spacegroup": 139
},
{
"id": "jvasp-100183",
"created_at": "2022-09-04T14:36:42.262913Z",
"updated_at": "2022-09-04T14:36:42.262933Z",
"structure_string": "Ir3 Rh1\n1.0\n3.869910 -0.000000 0.000000\n0.000000 3.869910 0.000000\n-0.000000 0.000000 3.869910\nIr Rh\n3 1\ndirect\n0.500000 0.000000 0.500000 Ir\n0.000000 0.500000 0.500000 Ir\n0.500000 0.500000 0.000000 Ir\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"Rh"
],
"chemical_system": "Ir-Rh",
"density": 19.470274447565423,
"density_atomic": 0.06901720954745648,
"volume": 57.95655933104027,
"volume_molar": 8.725563956420398,
"formula_full": "Ir3 Rh1",
"formula_reduced": "Ir3Rh",
"formula_anonymous": "AB3",
"energy_above_hull": 4.182549075,
"spacegroup": 221
}
]
}