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=-energy_above_hull&page=3514",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=3512",
"results": [
{
"id": "jvasp-118409",
"created_at": "2022-09-04T14:38:51.341254Z",
"updated_at": "2022-09-04T14:38:51.341286Z",
"structure_string": "H2 F2\n1.0\n2.219125 0.000000 0.000000\n-0.000000 2.219125 0.000000\n-0.000000 -0.000000 5.254158\nH F\n2 2\ndirect\n0.000000 0.000000 0.249945 H\n0.500002 0.500002 0.750056 H\n0.000000 0.000000 0.750038 F\n0.500002 0.500002 0.249962 F\n",
"nsites": 4,
"nelements": 2,
"elements": [
"H",
"F"
],
"chemical_system": "F-H",
"density": 2.567912061225996,
"density_atomic": 0.15459424786183643,
"volume": 25.87418390608472,
"volume_molar": 3.89544943831422,
"formula_full": "H2 F2",
"formula_reduced": "HF",
"formula_anonymous": "AB",
"energy_above_hull": 0.5444951412500001,
"spacegroup": 139
},
{
"id": "jvasp-12896",
"created_at": "2022-09-04T14:38:30.605583Z",
"updated_at": "2022-09-04T14:38:30.605611Z",
"structure_string": "Pt4 I8\n1.0\n0.000000 6.711074 0.050032\n8.701878 0.000000 0.000000\n0.000000 -1.510726 -6.777316\nPt I\n4 8\ndirect\n0.239024 0.626957 0.496829 Pt\n0.760975 0.126957 0.003172 Pt\n0.760975 0.373043 0.503172 Pt\n0.239024 0.873043 -0.003171 Pt\n0.463861 0.833210 0.733405 I\n0.536138 0.333210 0.766596 I\n0.536138 0.166791 0.266595 I\n0.463861 0.666791 0.233405 I\n0.984193 0.914481 0.229377 I\n0.015806 0.414481 0.270623 I\n0.015806 0.085519 0.770623 I\n0.984193 0.585519 0.729378 I\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Pt",
"I"
],
"chemical_system": "I-Pt",
"density": 7.545906675882588,
"density_atomic": 0.030369721684435,
"volume": 395.1303908771151,
"volume_molar": 19.82942360346506,
"formula_full": "Pt4 I8",
"formula_reduced": "PtI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.54438465,
"spacegroup": 14
},
{
"id": "jvasp-66844",
"created_at": "2022-09-04T14:36:15.140988Z",
"updated_at": "2022-09-04T14:36:15.141015Z",
"structure_string": "Mg1 Be1 Ni1\n1.0\n-1.437661 1.437661 4.516731\n1.437661 -1.437661 4.516731\n1.437661 1.437661 -4.516731\nMg Be Ni\n1 1 1\ndirect\n0.329291 0.329291 0.000000 Mg\n0.037924 0.037924 0.000000 Be\n0.632785 0.632785 0.000000 Ni\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Mg",
"Be",
"Ni"
],
"chemical_system": "Be-Mg-Ni",
"density": 4.091567067198658,
"density_atomic": 0.08033856198029185,
"volume": 37.34196786763424,
"volume_molar": 7.495952891809682,
"formula_full": "Mg1 Be1 Ni1",
"formula_reduced": "MgBeNi",
"formula_anonymous": "ABC",
"energy_above_hull": 0.5442712916666668,
"spacegroup": 107
},
{
"id": "jvasp-8808",
"created_at": "2022-09-04T14:37:03.510205Z",
"updated_at": "2022-09-04T14:37:03.510239Z",
"structure_string": "Li2 In2 Se4\n1.0\n5.645719 0.000517 -0.001867\n-0.000431 5.645720 -0.001304\n-2.820747 -2.821763 5.581779\nLi In Se\n2 2 4\ndirect\n0.875031 0.124985 0.749997 Li\n0.124969 0.875016 0.250003 Li\n0.374929 0.625040 0.750001 In\n0.625071 0.374961 0.249999 In\n0.384021 0.133947 0.767888 Se\n0.615979 0.866054 0.232112 Se\n0.866058 0.616021 0.732112 Se\n0.133942 0.383980 0.267889 Se\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"In",
"Se"
],
"chemical_system": "In-Li-Se",
"density": 5.222170199534651,
"density_atomic": 0.04497819861361481,
"volume": 177.86394845920788,
"volume_molar": 13.389021671884189,
"formula_full": "Li2 In2 Se4",
"formula_reduced": "LiInSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5441941758333333,
"spacegroup": 141
},
{
"id": "jvasp-100945",
"created_at": "2022-09-04T14:36:37.629120Z",
"updated_at": "2022-09-04T14:36:37.629148Z",
"structure_string": "Al1 Cu3 Hg1 Se4\n1.0\n5.910992 0.000000 0.000000\n0.000000 5.910992 0.000000\n-0.000000 -0.000000 5.910992\nAl Cu Hg Se\n1 3 1 4\ndirect\n0.000000 0.000000 0.000000 Al\n-0.000000 0.500000 -0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 -0.000000 Cu\n0.500000 0.500000 0.500000 Hg\n0.235733 0.235733 0.235733 Se\n0.764267 0.764267 0.235733 Se\n0.235733 0.764267 0.764267 Se\n0.764267 0.235733 0.764267 Se\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Al",
"Cu",
"Hg",
"Se"
],
"chemical_system": "Al-Cu-Hg-Se",
"density": 5.90192046735333,
"density_atomic": 0.04357740800425649,
"volume": 206.52903447403094,
"volume_molar": 13.819410184772298,
"formula_full": "Al1 Cu3 Hg1 Se4",
"formula_reduced": "AlCu3HgSe4",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 0.5441824685185183,
"spacegroup": 215
},
{
"id": "jvasp-99956",
"created_at": "2022-09-04T14:36:33.769309Z",
"updated_at": "2022-09-04T14:36:33.769318Z",
"structure_string": "Mn1 Cd2 Te3\n1.0\n4.602869 -0.000000 -0.000000\n-2.301434 3.986202 0.000000\n0.000000 0.000000 11.178059\nMn Cd Te\n1 2 3\ndirect\n0.333334 0.666667 0.662581 Mn\n-0.000000 -0.000000 0.996490 Cd\n0.666667 0.333333 0.339794 Cd\n-0.000000 -0.000000 0.250560 Te\n0.666667 0.333333 0.594974 Te\n0.333334 0.666667 0.905601 Te\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Mn",
"Cd",
"Te"
],
"chemical_system": "Cd-Mn-Te",
"density": 5.3643860566706065,
"density_atomic": 0.02925478665295824,
"volume": 205.09464215809896,
"volume_molar": 20.585146736631703,
"formula_full": "Mn1 Cd2 Te3",
"formula_reduced": "MnCd2Te3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.5441133402298849,
"spacegroup": 156
},
{
"id": "jvasp-78395",
"created_at": "2022-09-04T14:37:13.264887Z",
"updated_at": "2022-09-04T14:37:13.264906Z",
"structure_string": "Y1 In1\n1.0\n3.747479 0.000000 0.000000\n0.000000 3.747479 0.000000\n-0.000000 0.000000 3.747479\nY In\n1 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 In\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Y",
"In"
],
"chemical_system": "In-Y",
"density": 6.4279627131394905,
"density_atomic": 0.03800251789069851,
"volume": 52.62809179518918,
"volume_molar": 15.846688836041515,
"formula_full": "Y1 In1",
"formula_reduced": "YIn",
"formula_anonymous": "AB",
"energy_above_hull": 0.5440577099999999,
"spacegroup": 221
},
{
"id": "jvasp-109173",
"created_at": "2022-09-04T14:38:27.337976Z",
"updated_at": "2022-09-04T14:38:27.338006Z",
"structure_string": "In1 Ga1 Sb2\n1.0\n4.352444 0.008378 6.563574\n1.984704 3.873602 6.563574\n0.013677 0.008378 7.875538\nIn Ga Sb\n1 1 2\ndirect\n0.500702 0.500703 0.500702 In\n0.999842 0.999844 0.999844 Ga\n0.120398 0.120398 0.120398 Sb\n0.629055 0.629056 0.629056 Sb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"In",
"Ga",
"Sb"
],
"chemical_system": "Ga-In-Sb",
"density": 5.377990206452471,
"density_atomic": 0.030263924104602376,
"volume": 132.1705667174767,
"volume_molar": 19.898743927540394,
"formula_full": "In1 Ga1 Sb2",
"formula_reduced": "InGaSb2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5440261237500001,
"spacegroup": 160
},
{
"id": "jvasp-18277",
"created_at": "2022-09-04T14:38:11.036900Z",
"updated_at": "2022-09-04T14:38:11.036926Z",
"structure_string": "Y1 In1\n1.0\n3.747301 -0.000000 0.000000\n0.000000 3.747301 0.000000\n-0.000000 -0.000000 3.747301\nY In\n1 1\ndirect\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 In\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Y",
"In"
],
"chemical_system": "In-Y",
"density": 6.428878757817939,
"density_atomic": 0.038007933604173365,
"volume": 52.620592869600124,
"volume_molar": 15.844430856769215,
"formula_full": "Y1 In1",
"formula_reduced": "YIn",
"formula_anonymous": "AB",
"energy_above_hull": 0.5440127099999998,
"spacegroup": 221
},
{
"id": "jvasp-15478",
"created_at": "2022-09-04T14:35:48.846846Z",
"updated_at": "2022-09-04T14:35:48.846863Z",
"structure_string": "Li1 Ga2 Rh1\n1.0\n3.722490 -0.000000 2.149180\n1.240830 3.509598 2.149180\n0.000000 0.000000 4.298362\nLi Ga Rh\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.250000 0.250000 0.250000 Ga\n0.750000 0.750001 0.749999 Ga\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ga",
"Rh"
],
"chemical_system": "Ga-Li-Rh",
"density": 7.371644932461855,
"density_atomic": 0.07123051585004328,
"volume": 56.15570731540012,
"volume_molar": 8.454439348267531,
"formula_full": "Li1 Ga2 Rh1",
"formula_reduced": "LiGa2Rh",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5437519125000001,
"spacegroup": 225
},
{
"id": "jvasp-41745",
"created_at": "2022-09-04T14:37:38.738270Z",
"updated_at": "2022-09-04T14:37:38.738290Z",
"structure_string": "Li1 Dy1 Au2\n1.0\n0.000000 3.417033 3.417033\n3.417033 0.000000 3.417033\n3.417033 3.417033 -0.000000\nLi Dy Au\n1 1 2\ndirect\n0.749998 0.749998 0.749998 Li\n0.250000 0.250000 0.250000 Dy\n0.500001 0.500001 0.500001 Au\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Dy",
"Au"
],
"chemical_system": "Au-Dy-Li",
"density": 11.723802382646607,
"density_atomic": 0.05012824228372366,
"volume": 79.79533727434875,
"volume_molar": 12.013468826445074,
"formula_full": "Li1 Dy1 Au2",
"formula_reduced": "LiDyAu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.54364291,
"spacegroup": 225
},
{
"id": "jvasp-21566",
"created_at": "2022-09-04T14:37:39.369329Z",
"updated_at": "2022-09-04T14:37:39.369345Z",
"structure_string": "Ca10 As6\n1.0\n4.240878 -7.345416 -0.000000\n4.240878 7.345416 0.000000\n-0.000000 -0.000000 6.713984\nCa As\n10 6\ndirect\n0.333333 0.666667 0.000000 Ca\n0.666667 0.333333 0.500000 Ca\n0.666667 0.333333 0.000000 Ca\n0.333333 0.666667 0.500000 Ca\n-0.000000 0.253900 0.750000 Ca\n0.253900 0.253900 0.250000 Ca\n0.746101 -0.000000 0.250000 Ca\n0.253900 -0.000000 0.750000 Ca\n0.746101 0.746101 0.750000 Ca\n-0.000000 0.746101 0.250000 Ca\n-0.000000 0.610787 0.750000 As\n0.610787 0.610787 0.250000 As\n0.389213 -0.000000 0.250000 As\n0.610787 -0.000000 0.750000 As\n0.389213 0.389213 0.750000 As\n-0.000000 0.389213 0.250000 As\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Ca",
"As"
],
"chemical_system": "As-Ca",
"density": 3.375543480181914,
"density_atomic": 0.038250534602795365,
"volume": 418.2948072791305,
"volume_molar": 15.743938803824978,
"formula_full": "Ca10 As6",
"formula_reduced": "Ca5As3",
"formula_anonymous": "A3B5",
"energy_above_hull": 0.54341841875,
"spacegroup": 193
}
]
}