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=-spacegroup&page=97",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=95",
"results": [
{
"id": "jvasp-110813",
"created_at": "2022-09-04T14:38:49.517440Z",
"updated_at": "2022-09-04T14:38:49.517457Z",
"structure_string": "La2 Sn1 Hg1\n1.0\n4.804661 -0.000000 2.773972\n1.601554 4.529878 2.773972\n-0.000000 -0.000000 5.547945\nLa Sn Hg\n2 1 1\ndirect\n0.250000 0.250000 0.250000 La\n0.749999 0.750000 0.749999 La\n0.000000 0.000000 0.000000 Sn\n0.499999 0.500000 0.499999 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Sn",
"Hg"
],
"chemical_system": "Hg-La-Sn",
"density": 8.211504254674878,
"density_atomic": 0.03312673151832063,
"volume": 120.74840519016533,
"volume_molar": 18.179097315017252,
"formula_full": "La2 Sn1 Hg1",
"formula_reduced": "La2SnHg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4583265749999999,
"spacegroup": 225
},
{
"id": "jvasp-111316",
"created_at": "2022-09-04T14:38:49.454555Z",
"updated_at": "2022-09-04T14:38:49.454581Z",
"structure_string": "Hf1 Al1 Pt2\n1.0\n3.953892 -0.000000 2.282781\n1.317964 3.727765 2.282781\n0.000000 0.000000 4.565561\nHf Al Pt\n1 1 2\ndirect\n0.499999 0.500001 0.500000 Hf\n0.000000 0.000000 0.000000 Al\n0.249999 0.250000 0.250000 Pt\n0.749998 0.750001 0.750000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Al",
"Pt"
],
"chemical_system": "Al-Hf-Pt",
"density": 14.698233330726287,
"density_atomic": 0.05944187672940096,
"volume": 67.29262634504829,
"volume_molar": 10.131141698999128,
"formula_full": "Hf1 Al1 Pt2",
"formula_reduced": "HfAlPt2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.83807715,
"spacegroup": 225
},
{
"id": "jvasp-111269",
"created_at": "2022-09-04T14:38:49.416420Z",
"updated_at": "2022-09-04T14:38:49.416448Z",
"structure_string": "Ho2 Ag1 Ru1\n1.0\n4.251836 -0.000000 2.454799\n1.417279 4.008670 2.454799\n-0.000000 -0.000000 4.909598\nHo Ag Ru\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ho\n0.750001 0.750000 0.750000 Ho\n0.500001 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ho",
"Ag",
"Ru"
],
"chemical_system": "Ag-Ho-Ru",
"density": 10.69185364926191,
"density_atomic": 0.04780102918070571,
"volume": 83.68020665158713,
"volume_molar": 12.59834958204365,
"formula_full": "Ho2 Ag1 Ru1",
"formula_reduced": "Ho2AgRu",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.6453922233333331,
"spacegroup": 225
},
{
"id": "jvasp-113486",
"created_at": "2022-09-04T14:38:49.417117Z",
"updated_at": "2022-09-04T14:38:49.417145Z",
"structure_string": "Ba1 I2\n1.0\n5.493711 1.872449 0.860099\n-4.080292 -7.070138 1.433951\n-2.390570 0.271859 -5.332320\nBa I\n1 2\ndirect\n0.703840 0.053436 0.178721 Ba\n0.704009 0.303902 0.678135 I\n0.703549 0.802906 0.679195 I\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ba",
"I"
],
"chemical_system": "Ba-I",
"density": 4.563536579925561,
"density_atomic": 0.02107880420593771,
"volume": 142.3230639978584,
"volume_molar": 28.569650826319723,
"formula_full": "Ba1 I2",
"formula_reduced": "BaI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0042866666666667,
"spacegroup": 225
},
{
"id": "jvasp-111254",
"created_at": "2022-09-04T14:38:49.385959Z",
"updated_at": "2022-09-04T14:38:49.385995Z",
"structure_string": "Ca1 Yb1 Pb2\n1.0\n4.760441 -0.000000 2.748442\n1.586814 4.488187 2.748442\n-0.000000 -0.000000 5.496884\nYb Ca Pb\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.499999 0.500000 0.499999 Ca\n0.250000 0.250000 0.250000 Pb\n0.749999 0.750001 0.749999 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"Ca",
"Pb"
],
"chemical_system": "Ca-Pb-Yb",
"density": 8.872389162021916,
"density_atomic": 0.034058482102288026,
"volume": 117.44504608240548,
"volume_molar": 17.68176497682331,
"formula_full": "Ca1 Yb1 Pb2",
"formula_reduced": "CaYbPb2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-110782",
"created_at": "2022-09-04T14:38:49.441539Z",
"updated_at": "2022-09-04T14:38:49.441558Z",
"structure_string": "Er2 In1 Hg1\n1.0\n4.526310 -0.000000 2.613266\n1.508770 4.267446 2.613266\n-0.000000 -0.000000 5.226532\nEr In Hg\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Er\n0.750000 0.750001 0.750001 Er\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Er",
"In",
"Hg"
],
"chemical_system": "Er-Hg-In",
"density": 10.690230407530928,
"density_atomic": 0.03962178604532276,
"volume": 100.954560590087,
"volume_molar": 15.199064355936315,
"formula_full": "Er2 In1 Hg1",
"formula_reduced": "Er2InHg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0329311424999999,
"spacegroup": 225
},
{
"id": "jvasp-113789",
"created_at": "2022-09-04T14:38:49.378441Z",
"updated_at": "2022-09-04T14:38:49.378456Z",
"structure_string": "Ba2 Ta1 Co1 O6\n1.0\n4.910457 0.000000 2.835054\n1.636819 4.629623 2.835054\n0.000000 0.000000 5.670109\nBa Ta Co O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750001 0.749999 0.749999 Ba\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.499999 Co\n0.251495 0.251494 0.748505 O\n0.748506 0.748505 0.251493 O\n0.251495 0.748505 0.251494 O\n0.748506 0.251494 0.748505 O\n0.748506 0.251494 0.251494 O\n0.251495 0.748505 0.748505 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Ta",
"Co",
"O"
],
"chemical_system": "Ba-Co-O-Ta",
"density": 7.864990614792549,
"density_atomic": 0.07757844192181522,
"volume": 128.90178962447013,
"volume_molar": 7.762647213344668,
"formula_full": "Ba2 Ta1 Co1 O6",
"formula_reduced": "Ba2TaCoO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.603405304,
"spacegroup": 225
},
{
"id": "jvasp-111253",
"created_at": "2022-09-04T14:38:49.356613Z",
"updated_at": "2022-09-04T14:38:49.356635Z",
"structure_string": "Ca2 Pd1 Pt1\n1.0\n4.268240 -0.000000 2.464270\n1.422747 4.024135 2.464270\n-0.000000 -0.000000 4.928539\nCa Pd Pt\n2 1 1\ndirect\n0.750000 0.750001 0.750000 Ca\n0.250000 0.250000 0.250000 Ca\n0.500000 0.500001 0.500000 Pd\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Pd",
"Pt"
],
"chemical_system": "Ca-Pd-Pt",
"density": 7.4866265933864735,
"density_atomic": 0.04725202450192655,
"volume": 84.6524575859583,
"volume_molar": 12.744725381564269,
"formula_full": "Ca2 Pd1 Pt1",
"formula_reduced": "Ca2PdPt",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6191694850000001,
"spacegroup": 225
},
{
"id": "jvasp-113782",
"created_at": "2022-09-04T14:38:49.297897Z",
"updated_at": "2022-09-04T14:38:49.297921Z",
"structure_string": "Ga1 Fe7 N2\n1.0\n4.595292 -0.000000 2.653093\n1.531764 4.332482 2.653093\n-0.000000 -0.000000 5.306186\nGa Fe N\n1 7 2\ndirect\n0.000000 0.000000 0.000000 Ga\n0.500000 0.000000 -0.000000 Fe\n-0.000000 0.500000 0.500000 Fe\n0.000000 0.000000 0.500000 Fe\n0.499999 0.500000 -0.000000 Fe\n-0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.499999 0.500000 0.500000 Fe\n0.250000 0.250000 0.250000 N\n0.749999 0.750000 0.750000 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ga",
"Fe",
"N"
],
"chemical_system": "Fe-Ga-N",
"density": 7.680966929798965,
"density_atomic": 0.09466025072298871,
"volume": 105.64096253308836,
"volume_molar": 6.361847463961443,
"formula_full": "Ga1 Fe7 N2",
"formula_reduced": "GaFe7N2",
"formula_anonymous": "AB2C7",
"energy_above_hull": 4.047527732499999,
"spacegroup": 225
},
{
"id": "jvasp-113767",
"created_at": "2022-09-04T14:38:49.282133Z",
"updated_at": "2022-09-04T14:38:49.282162Z",
"structure_string": "Tm2 Zn1 In1\n1.0\n4.418967 0.000000 2.551292\n1.472989 4.166242 2.551292\n0.000000 0.000000 5.102583\nTm Zn In\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Tm\n0.750001 0.750000 0.749999 Tm\n0.000000 0.000000 0.000000 Zn\n0.500001 0.500000 0.499999 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tm",
"Zn",
"In"
],
"chemical_system": "In-Tm-Zn",
"density": 9.158060783706537,
"density_atomic": 0.042579902479875795,
"volume": 93.94103243638213,
"volume_molar": 14.143153011790474,
"formula_full": "Tm2 Zn1 In1",
"formula_reduced": "Tm2ZnIn",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0555822174999999,
"spacegroup": 225
},
{
"id": "jvasp-109488",
"created_at": "2022-09-04T14:38:49.267057Z",
"updated_at": "2022-09-04T14:38:49.267078Z",
"structure_string": "K1 Rb2 Gd1 Cl6\n1.0\n6.798114 -0.000000 3.924893\n2.266038 6.409323 3.924893\n-0.000000 -0.000000 7.849786\nK Rb Gd Cl\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Gd\n0.761805 0.238194 0.238194 Cl\n0.238194 0.238194 0.761806 Cl\n0.238195 0.761805 0.761806 Cl\n0.238195 0.761805 0.238194 Cl\n0.761805 0.238194 0.761806 Cl\n0.761806 0.761805 0.238194 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Rb",
"Gd",
"Cl"
],
"chemical_system": "Cl-Gd-K-Rb",
"density": 2.815918589184606,
"density_atomic": 0.029237590633117896,
"volume": 342.0254468120515,
"volume_molar": 20.597253842040672,
"formula_full": "K1 Rb2 Gd1 Cl6",
"formula_reduced": "KRb2GdCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.2926045904999996,
"spacegroup": 225
},
{
"id": "jvasp-118634",
"created_at": "2022-09-04T14:38:49.107678Z",
"updated_at": "2022-09-04T14:38:49.107689Z",
"structure_string": "Al1 N1\n1.0\n2.686150 -0.957798 0.225137\n-1.017479 -2.651300 0.347007\n-0.766939 1.512211 -2.301062\nAl N\n1 1\ndirect\n0.131144 -0.051909 0.171257 Al\n0.631174 0.448079 0.171274 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Al",
"N"
],
"chemical_system": "Al-N",
"density": 4.082617005793455,
"density_atomic": 0.11996658127463104,
"volume": 16.671309449266882,
"volume_molar": 5.019848607850163,
"formula_full": "Al1 N1",
"formula_reduced": "AlN",
"formula_anonymous": "AB",
"energy_above_hull": 1.5463630249999998,
"spacegroup": 225
}
]
}