HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=224",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=222",
"results": [
{
"id": "jvasp-28473",
"created_at": "2022-09-04T14:37:14.222952Z",
"updated_at": "2022-09-04T14:37:14.222978Z",
"structure_string": "Te6 Mo2 W1\n1.0\n3.567726 -0.000000 0.000000\n-1.783863 3.089785 -0.000000\n0.000000 -0.000000 30.885802\nTe Mo W\n6 2 1\ndirect\n0.333311 0.666620 0.405867 Te\n0.666669 0.333334 0.057477 Te\n0.666668 0.333332 0.519205 Te\n0.666668 0.333332 0.174760 Te\n0.666669 0.333334 0.636487 Te\n0.333311 0.666620 0.288098 Te\n0.333335 0.666668 0.116070 Mo\n0.333335 0.666668 0.577895 Mo\n0.666644 0.333285 0.346982 W\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Te",
"Mo",
"W"
],
"chemical_system": "Mo-Te-W",
"density": 5.566444565210761,
"density_atomic": 0.026434060074666695,
"volume": 340.4698322761711,
"volume_molar": 22.781747272229925,
"formula_full": "Te6 Mo2 W1",
"formula_reduced": "Te6Mo2W",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.321876488888889,
"spacegroup": 187
},
{
"id": "jvasp-69286",
"created_at": "2022-09-04T14:35:52.371602Z",
"updated_at": "2022-09-04T14:35:52.371625Z",
"structure_string": "Ba2 In1 Sb1\n1.0\n-0.000000 4.229479 4.229479\n4.229479 0.000000 4.229479\n4.229479 4.229479 0.000000\nBa In Sb\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"In",
"Sb"
],
"chemical_system": "Ba-In-Sb",
"density": 5.610176350403246,
"density_atomic": 0.02643439509438134,
"volume": 151.31800768348978,
"volume_molar": 22.781458544818424,
"formula_full": "Ba2 In1 Sb1",
"formula_reduced": "Ba2InSb",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-25291",
"created_at": "2022-09-04T14:37:55.468593Z",
"updated_at": "2022-09-04T14:37:55.468627Z",
"structure_string": "H1\n1.0\n2.664383 2.664383 -0.000000\n0.000000 2.664383 2.664383\n2.664383 0.000000 2.664383\nH\n1\ndirect\n0.000000 0.000000 0.000000 H\n",
"nsites": 1,
"nelements": 1,
"elements": [
"H"
],
"chemical_system": "H",
"density": 0.044244961374098536,
"density_atomic": 0.026435044289110823,
"volume": 37.82857289979734,
"volume_molar": 22.780899075250094,
"formula_full": "H1",
"formula_reduced": "H",
"formula_anonymous": "A",
"energy_above_hull": 2.50613,
"spacegroup": 225
},
{
"id": "jvasp-66352",
"created_at": "2022-09-04T14:36:10.466282Z",
"updated_at": "2022-09-04T14:36:10.466301Z",
"structure_string": "Ba4 Pt1 Pb1\n1.0\n0.000000 4.841492 4.841492\n4.841492 -0.000000 4.841492\n4.841492 4.841492 -0.000000\nBa Pt Pb\n4 1 1\ndirect\n0.123538 0.625487 0.625487 Ba\n0.625487 0.625487 0.625487 Ba\n0.625487 0.123538 0.625487 Ba\n0.625487 0.625487 0.123538 Ba\n0.000000 0.000000 0.000000 Pt\n0.250000 0.250000 0.250000 Pb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Pt",
"Pb"
],
"chemical_system": "Ba-Pb-Pt",
"density": 6.96197129612023,
"density_atomic": 0.02643526077991684,
"volume": 226.9695786227411,
"volume_molar": 22.7807125117339,
"formula_full": "Ba4 Pt1 Pb1",
"formula_reduced": "Ba4PtPb",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.4001043499999999,
"spacegroup": 216
},
{
"id": "jvasp-66390",
"created_at": "2022-09-04T14:36:10.576195Z",
"updated_at": "2022-09-04T14:36:10.576221Z",
"structure_string": "Ba1 Hg1 Cl1\n1.0\n-0.000000 3.842682 3.842682\n3.842682 -0.000000 3.842682\n3.842682 3.842682 0.000000\nBa Hg Cl\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Hg",
"Cl"
],
"chemical_system": "Ba-Cl-Hg",
"density": 5.46330169027517,
"density_atomic": 0.026435523853994263,
"volume": 113.48365996336086,
"volume_molar": 22.78048580864452,
"formula_full": "Ba1 Hg1 Cl1",
"formula_reduced": "BaHgCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-29951",
"created_at": "2022-09-04T14:38:31.511013Z",
"updated_at": "2022-09-04T14:38:31.511038Z",
"structure_string": "Cu4 Hg2 I8\n1.0\n8.346353 0.000000 0.000000\n-4.173177 4.026423 0.000000\n0.000000 0.000000 15.757400\nCu Hg I\n4 2 8\ndirect\n0.500000 -0.000000 0.500000 Cu\n0.499999 0.500000 0.500000 Cu\n0.500000 -0.000000 0.000000 Cu\n-0.000000 0.500000 0.000000 Cu\n0.499999 0.500000 0.000000 Hg\n-0.000000 0.500000 0.500000 Hg\n0.230129 0.508428 0.124057 I\n0.278297 0.508428 0.624057 I\n0.278297 0.508428 0.375943 I\n0.230129 0.508428 0.875943 I\n0.769870 0.491571 0.124057 I\n0.721701 0.491571 0.375943 I\n0.721701 0.491571 0.624057 I\n0.769870 0.491571 0.875943 I\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Cu",
"Hg",
"I"
],
"chemical_system": "Cu-Hg-I",
"density": 5.238667149944031,
"density_atomic": 0.026437922734835428,
"volume": 529.5423600566456,
"volume_molar": 22.7784187903123,
"formula_full": "Cu4 Hg2 I8",
"formula_reduced": "Cu2HgI4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.0381514285714285,
"spacegroup": 66
},
{
"id": "jvasp-69189",
"created_at": "2022-09-04T14:35:49.481467Z",
"updated_at": "2022-09-04T14:35:49.481496Z",
"structure_string": "Ba2 Y1 Zn1\n1.0\n0.000000 4.229137 4.229137\n4.229137 0.000000 4.229137\n4.229137 4.229137 -0.000000\nBa Y Zn\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Y",
"Zn"
],
"chemical_system": "Ba-Y-Zn",
"density": 4.708576125835963,
"density_atomic": 0.026440808668283276,
"volume": 151.28130346475172,
"volume_molar": 22.775932595525262,
"formula_full": "Ba2 Y1 Zn1",
"formula_reduced": "Ba2YZn",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.2616819474999999,
"spacegroup": 225
},
{
"id": "jvasp-66629",
"created_at": "2022-09-04T14:36:14.495619Z",
"updated_at": "2022-09-04T14:36:14.495644Z",
"structure_string": "Ba4 Mo1 W1\n1.0\n0.000000 4.841096 4.841096\n4.841096 -0.000000 4.841096\n4.841096 4.841096 0.000000\nBa Mo W\n4 1 1\ndirect\n0.124149 0.625284 0.625284 Ba\n0.625284 0.625284 0.625284 Ba\n0.625284 0.124149 0.625284 Ba\n0.625284 0.625284 0.124149 Ba\n0.250000 0.250000 0.250000 Mo\n0.000000 0.000000 0.000000 W\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Mo",
"W"
],
"chemical_system": "Ba-Mo-W",
"density": 6.067204682290485,
"density_atomic": 0.026441748496500477,
"volume": 226.91388963154574,
"volume_molar": 22.775123062671216,
"formula_full": "Ba4 Mo1 W1",
"formula_reduced": "Ba4MoW",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.6972232966666665,
"spacegroup": 216
},
{
"id": "jvasp-99630",
"created_at": "2022-09-04T14:36:39.654055Z",
"updated_at": "2022-09-04T14:36:39.654075Z",
"structure_string": "K2 Y1 Hg1 Br6\n1.0\n7.029040 -0.000000 4.058218\n2.343013 6.627043 4.058218\n-0.000000 -0.000000 8.116436\nK Y Hg Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500001 Hg\n0.759163 0.240837 0.240837 Br\n0.240837 0.240837 0.759164 Br\n0.240836 0.759163 0.759164 Br\n0.240836 0.759163 0.240837 Br\n0.759163 0.240837 0.759164 Br\n0.759163 0.759163 0.240837 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Y",
"Hg",
"Br"
],
"chemical_system": "Br-Hg-K-Y",
"density": 3.720583373660636,
"density_atomic": 0.026449582927167828,
"volume": 378.07779531103483,
"volume_molar": 22.7683770159352,
"formula_full": "K2 Y1 Hg1 Br6",
"formula_reduced": "K2YHgBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-66032",
"created_at": "2022-09-04T14:35:44.721950Z",
"updated_at": "2022-09-04T14:35:44.721978Z",
"structure_string": "Ba4 Ni1 Ge1\n1.0\n0.000000 4.839934 4.839934\n4.839934 0.000000 4.839934\n4.839934 4.839934 0.000000\nBa Ni Ge\n4 1 1\ndirect\n0.125773 0.624742 0.624742 Ba\n0.624742 0.624742 0.624742 Ba\n0.624742 0.125773 0.624742 Ba\n0.624742 0.624742 0.125773 Ba\n0.000000 0.000000 0.000000 Ni\n0.250000 0.250000 0.250000 Ge\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ni",
"Ge"
],
"chemical_system": "Ba-Ge-Ni",
"density": 4.984471820751649,
"density_atomic": 0.026460797943698298,
"volume": 226.7505315888977,
"volume_molar": 22.75872697721947,
"formula_full": "Ba4 Ni1 Ge1",
"formula_reduced": "Ba4NiGe",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.2726970383333332,
"spacegroup": 216
},
{
"id": "jvasp-68978",
"created_at": "2022-09-04T14:36:09.776328Z",
"updated_at": "2022-09-04T14:36:09.776360Z",
"structure_string": "Ba2 Zr1 Cl1\n1.0\n0.000000 4.228027 4.228027\n4.228027 0.000000 4.228027\n4.228027 4.228027 0.000000\nBa Zr Cl\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750001 0.750001 0.750001 Ba\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Zr",
"Cl"
],
"chemical_system": "Ba-Cl-Zr",
"density": 4.4086797546801915,
"density_atomic": 0.026461638954001946,
"volume": 151.1622166319013,
"volume_molar": 22.75800365377307,
"formula_full": "Ba2 Zr1 Cl1",
"formula_reduced": "Ba2ZrCl",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.977777626875,
"spacegroup": 225
},
{
"id": "jvasp-69138",
"created_at": "2022-09-04T14:36:17.278735Z",
"updated_at": "2022-09-04T14:36:17.278762Z",
"structure_string": "Ba2 Sc1 Tl1\n1.0\n0.000000 4.227989 4.227989\n4.227989 0.000000 4.227989\n4.227989 4.227989 0.000000\nBa Sc Tl\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Sc",
"Tl"
],
"chemical_system": "Ba-Sc-Tl",
"density": 5.75629730574798,
"density_atomic": 0.026462352450170794,
"volume": 151.15814089212552,
"volume_molar": 22.757390036807294,
"formula_full": "Ba2 Sc1 Tl1",
"formula_reduced": "Ba2ScTl",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.3785574475,
"spacegroup": 225
}
]
}