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=-nelements&page=1006",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=1004",
"results": [
{
"id": "jvasp-64149",
"created_at": "2022-09-04T14:36:01.381930Z",
"updated_at": "2022-09-04T14:36:01.381957Z",
"structure_string": "Ba2 Na1 Bi1\n1.0\n-0.000000 4.316877 4.316877\n4.316877 0.000000 4.316877\n4.316877 4.316877 0.000000\nBa Na Bi\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Na",
"Bi"
],
"chemical_system": "Ba-Bi-Na",
"density": 5.228727186959534,
"density_atomic": 0.02486113615237964,
"volume": 160.89369268898562,
"volume_molar": 24.22311161923136,
"formula_full": "Ba2 Na1 Bi1",
"formula_reduced": "Ba2NaBi",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-68586",
"created_at": "2022-09-04T14:36:01.387230Z",
"updated_at": "2022-09-04T14:36:01.387257Z",
"structure_string": "Ti1 Be1 Hg1\n1.0\n1.622518 -2.810284 0.000000\n1.622518 2.810284 -0.000000\n-0.000000 -0.000000 5.481254\nTi Be Hg\n1 1 1\ndirect\n0.666667 0.333334 0.298287 Ti\n0.000000 0.000000 -0.002131 Be\n0.333334 0.666667 0.703843 Hg\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ti",
"Be",
"Hg"
],
"chemical_system": "Be-Hg-Ti",
"density": 8.553122518488102,
"density_atomic": 0.060016628819282714,
"volume": 49.98614649005629,
"volume_molar": 10.034120340436633,
"formula_full": "Ti1 Be1 Hg1",
"formula_reduced": "TiBeHg",
"formula_anonymous": "ABC",
"energy_above_hull": 1.3243963444444444,
"spacegroup": 156
},
{
"id": "jvasp-98992",
"created_at": "2022-09-04T14:36:01.390848Z",
"updated_at": "2022-09-04T14:36:01.390869Z",
"structure_string": "Ca10 Sn4 As12\n1.0\n4.166500 0.000000 0.000000\n0.000000 12.043422 0.000000\n0.000000 0.000000 13.412027\nCa Sn As\n10 4 12\ndirect\n0.000000 0.624471 0.744358 Ca\n0.000000 0.375529 0.255642 Ca\n0.000000 0.124471 0.755643 Ca\n0.000000 0.875529 0.244358 Ca\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Ca\n0.000000 0.866139 0.564999 Ca\n0.000000 0.133861 0.435001 Ca\n0.000000 0.366139 0.935001 Ca\n0.000000 0.633860 0.064999 Ca\n0.500000 0.208758 0.109551 Sn\n0.500000 0.291241 0.609551 Sn\n0.500000 0.708758 0.390449 Sn\n0.500000 0.791241 0.890449 Sn\n0.000000 0.620969 0.293536 As\n0.500000 0.834807 0.083946 As\n0.500000 0.165193 0.916054 As\n0.500000 0.334807 0.416054 As\n0.500000 0.665193 0.583947 As\n0.500000 0.571994 0.898395 As\n0.500000 0.428006 0.101605 As\n0.500000 0.071994 0.601605 As\n0.500000 0.928006 0.398395 As\n0.000000 0.120969 0.206464 As\n0.000000 0.379031 0.706464 As\n0.000000 0.879031 0.793536 As\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"As"
],
"chemical_system": "As-Ca-Sn",
"density": 4.378781224485312,
"density_atomic": 0.03863292923055732,
"volume": 673.0009998681356,
"volume_molar": 15.588102895487134,
"formula_full": "Ca10 Sn4 As12",
"formula_reduced": "Ca5(SnAs3)2",
"formula_anonymous": "A2B5C6",
"energy_above_hull": 1.114978923076923,
"spacegroup": 55
},
{
"id": "jvasp-96784",
"created_at": "2022-09-04T14:36:01.395253Z",
"updated_at": "2022-09-04T14:36:01.395273Z",
"structure_string": "Sr8 Rh4 F28\n1.0\n5.526801 0.011828 0.000000\n-0.129647 8.670283 0.000000\n0.000000 0.000000 11.735853\nSr Rh F\n8 4 28\ndirect\n0.773984 0.845581 0.559642 Sr\n0.226015 0.654418 0.059642 Sr\n0.226015 0.154419 0.440357 Sr\n0.773984 0.345581 0.940357 Sr\n0.234983 0.554792 0.707742 Sr\n0.765016 0.945208 0.207742 Sr\n0.765017 0.445208 0.292258 Sr\n0.234983 0.054792 0.792258 Sr\n0.687963 0.320835 0.632556 Rh\n0.312037 0.179165 0.132557 Rh\n0.687963 0.820835 0.867443 Rh\n0.312036 0.679165 0.367443 Rh\n0.761982 0.043100 0.835359 F\n0.418872 0.396977 0.101345 F\n0.238017 0.956900 0.164641 F\n0.761982 0.543099 0.664641 F\n0.238018 0.456900 0.335359 F\n0.010723 0.212617 0.226739 F\n0.514411 0.687010 0.223694 F\n0.514411 0.187010 0.276306 F\n0.485588 0.312990 0.776306 F\n0.989277 0.287383 0.726739 F\n0.581127 0.103023 0.601345 F\n0.485588 0.812990 0.723693 F\n0.581127 0.603023 0.898655 F\n0.866754 0.824498 0.015697 F\n0.617179 0.126045 0.053966 F\n0.382820 0.373955 0.553966 F\n0.382820 0.873955 0.946034 F\n0.617179 0.626045 0.446034 F\n0.010722 0.712617 0.273261 F\n0.133245 0.675501 0.515697 F\n0.133245 0.175501 0.984303 F\n0.866755 0.324499 0.484303 F\n0.894101 0.489114 0.105448 F\n0.105898 0.010886 0.605448 F\n0.105898 0.510885 0.894551 F\n0.894101 0.989114 0.394552 F\n0.418872 0.896977 0.398655 F\n0.989277 0.787383 0.773261 F\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Sr",
"Rh",
"F"
],
"chemical_system": "F-Rh-Sr",
"density": 4.85575944417291,
"density_atomic": 0.07112533614054221,
"volume": 562.3875002989204,
"volume_molar": 8.466941721161602,
"formula_full": "Sr8 Rh4 F28",
"formula_reduced": "Sr2RhF7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 0.0,
"spacegroup": 14
},
{
"id": "jvasp-67545",
"created_at": "2022-09-04T14:36:01.406352Z",
"updated_at": "2022-09-04T14:36:01.406375Z",
"structure_string": "Be1 Ni1 Ir1\n1.0\n-1.363006 1.363006 4.471599\n1.363006 -1.363006 4.471599\n1.363006 1.363006 -4.471599\nBe Ni Ir\n1 1 1\ndirect\n0.004245 0.004245 0.000000 Be\n0.647452 0.647452 0.000000 Ni\n0.348303 0.348303 0.000000 Ir\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Be",
"Ni",
"Ir"
],
"chemical_system": "Be-Ir-Ni",
"density": 12.988970578151918,
"density_atomic": 0.09028235473918275,
"volume": 33.22908456106089,
"volume_molar": 6.670340818421716,
"formula_full": "Be1 Ni1 Ir1",
"formula_reduced": "BeNiIr",
"formula_anonymous": "ABC",
"energy_above_hull": 2.1265465333333333,
"spacegroup": 107
},
{
"id": "jvasp-70696",
"created_at": "2022-09-04T14:36:01.410401Z",
"updated_at": "2022-09-04T14:36:01.410427Z",
"structure_string": "Hf1 Be2 Fe1\n1.0\n-2.052927 2.052927 2.903042\n2.052927 -2.052927 2.903042\n2.052927 2.052927 -2.903042\nHf Be Fe\n1 2 1\ndirect\n0.750001 0.250000 0.500001 Hf\n0.000000 0.000000 0.000000 Be\n0.250000 0.750001 0.500001 Be\n0.500000 0.500000 0.000000 Fe\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Be",
"Fe"
],
"chemical_system": "Be-Fe-Hf",
"density": 8.56265011094556,
"density_atomic": 0.08173341927516302,
"volume": 48.939589649781254,
"volume_molar": 7.368027440190546,
"formula_full": "Hf1 Be2 Fe1",
"formula_reduced": "HfBe2Fe",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.1557451750000007,
"spacegroup": 216
},
{
"id": "jvasp-69995",
"created_at": "2022-09-04T14:36:01.410857Z",
"updated_at": "2022-09-04T14:36:01.410870Z",
"structure_string": "Li1 Be2 Ge1\n1.0\n-1.797938 1.797938 3.532311\n1.797938 -1.797938 3.532311\n1.797938 1.797938 -3.532311\nLi Be Ge\n1 2 1\ndirect\n0.750001 0.250000 0.500001 Li\n0.000000 0.000000 0.000000 Be\n0.250000 0.750001 0.500001 Be\n0.500000 0.500000 0.000000 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Be",
"Ge"
],
"chemical_system": "Be-Ge-Li",
"density": 3.54857864640934,
"density_atomic": 0.08757731845144225,
"volume": 45.67392643128053,
"volume_molar": 6.876370350776394,
"formula_full": "Li1 Be2 Ge1",
"formula_reduced": "LiBe2Ge",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.3271945375,
"spacegroup": 119
},
{
"id": "jvasp-71627",
"created_at": "2022-09-04T14:36:01.680573Z",
"updated_at": "2022-09-04T14:36:01.680591Z",
"structure_string": "Be1 Cu2 Pt1\n1.0\n-1.742318 1.742318 4.002716\n1.742318 -1.742318 4.002716\n1.742318 1.742318 -4.002716\nBe Cu Pt\n1 2 1\ndirect\n0.750001 0.250000 0.500001 Be\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.000000 Cu\n0.250000 0.750001 0.500001 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Cu",
"Pt"
],
"chemical_system": "Be-Cu-Pt",
"density": 11.314993618754778,
"density_atomic": 0.08229820748155917,
"volume": 48.60373175073459,
"volume_molar": 7.317462851605122,
"formula_full": "Be1 Cu2 Pt1",
"formula_reduced": "BeCu2Pt",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.8514771,
"spacegroup": 139
},
{
"id": "jvasp-87002",
"created_at": "2022-09-04T14:36:01.412918Z",
"updated_at": "2022-09-04T14:36:01.412929Z",
"structure_string": "Ce2 Nb2 O8\n1.0\n4.880908 -0.074205 -1.778940\n-1.330964 4.918889 -2.044859\n-0.001322 0.037949 6.675667\nCe Nb O\n2 2 8\ndirect\n0.881906 0.131905 0.763811 Ce\n0.118095 0.868095 0.236189 Ce\n0.347403 0.597402 0.694806 Nb\n0.652599 0.402598 0.305194 Nb\n0.291925 0.142690 0.081229 O\n0.789305 0.438539 0.081229 O\n0.708076 0.857310 0.918771 O\n0.210697 0.561461 0.918771 O\n0.497176 0.710787 0.439375 O\n0.942199 0.228585 0.439375 O\n0.502825 0.289212 0.560626 O\n0.057802 0.771414 0.560626 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ce",
"Nb",
"O"
],
"chemical_system": "Ce-Nb-O",
"density": 6.16242204204832,
"density_atomic": 0.07496661936190228,
"volume": 160.07124373676038,
"volume_molar": 8.033096345091995,
"formula_full": "Ce2 Nb2 O8",
"formula_reduced": "CeNbO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.6635881500000007,
"spacegroup": 15
},
{
"id": "jvasp-64021",
"created_at": "2022-09-04T14:36:01.445464Z",
"updated_at": "2022-09-04T14:36:01.445487Z",
"structure_string": "Ba4 Tl1 Rh1\n1.0\n0.000000 4.859332 4.859332\n4.859332 -0.000000 4.859332\n4.859332 4.859332 0.000000\nBa Tl Rh\n4 1 1\ndirect\n0.126726 0.624425 0.624425 Ba\n0.624425 0.624425 0.624425 Ba\n0.624425 0.126726 0.624425 Ba\n0.624425 0.624425 0.126726 Ba\n0.000000 0.000000 0.000000 Tl\n0.250000 0.250000 0.250000 Rh\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Tl",
"Rh"
],
"chemical_system": "Ba-Rh-Tl",
"density": 6.19820353574459,
"density_atomic": 0.026145174133932914,
"volume": 229.4878576544957,
"volume_molar": 23.033469691770282,
"formula_full": "Ba4 Tl1 Rh1",
"formula_reduced": "Ba4TlRh",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.33798158,
"spacegroup": 216
},
{
"id": "jvasp-96072",
"created_at": "2022-09-04T14:36:01.445126Z",
"updated_at": "2022-09-04T14:36:01.445151Z",
"structure_string": "Ba2 Al4 Cl16\n1.0\n7.199588 0.000000 0.000000\n0.000000 7.225849 -1.566906\n0.000000 -0.042752 12.543314\nBa Al Cl\n2 4 16\ndirect\n0.136396 0.500000 0.250000 Ba\n0.863604 0.500000 0.750000 Ba\n0.283094 0.710924 0.946239 Al\n0.283094 0.289077 0.553760 Al\n0.716906 0.289077 0.053761 Al\n0.716906 0.710924 0.446239 Al\n0.794209 0.579155 0.101766 Cl\n0.205791 0.420846 0.898233 Cl\n0.205791 0.579155 0.601766 Cl\n0.442860 0.242613 0.111897 Cl\n0.442860 0.757388 0.388102 Cl\n0.557140 0.757388 0.888102 Cl\n0.557140 0.242613 0.611897 Cl\n0.919050 0.862682 0.373080 Cl\n0.080950 0.862682 0.873080 Cl\n0.714305 0.206958 0.877784 Cl\n0.714305 0.793042 0.622215 Cl\n0.285695 0.793042 0.122215 Cl\n0.285695 0.206958 0.377784 Cl\n0.794209 0.420846 0.398233 Cl\n0.919050 0.137318 0.126919 Cl\n0.080950 0.137318 0.626919 Cl\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ba",
"Al",
"Cl"
],
"chemical_system": "Al-Ba-Cl",
"density": 2.4188359666470327,
"density_atomic": 0.0337392141188067,
"volume": 652.060238348495,
"volume_molar": 17.84908426969903,
"formula_full": "Ba2 Al4 Cl16",
"formula_reduced": "Ba(AlCl4)2",
"formula_anonymous": "AB2C8",
"energy_above_hull": 0.2575485554545454,
"spacegroup": 13
},
{
"id": "jvasp-68423",
"created_at": "2022-09-04T14:36:01.448276Z",
"updated_at": "2022-09-04T14:36:01.448299Z",
"structure_string": "Na1 Ta1 Be1\n1.0\n1.409926 -2.442064 -0.000000\n1.409926 2.442064 0.000000\n0.000000 0.000000 7.673343\nNa Ta Be\n1 1 1\ndirect\n0.666668 0.333335 0.316611 Na\n0.333335 0.666668 0.705617 Ta\n0.000000 0.000000 0.977771 Be\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Na",
"Ta",
"Be"
],
"chemical_system": "Be-Na-Ta",
"density": 6.692038482055116,
"density_atomic": 0.05677449587345774,
"volume": 52.840627712249045,
"volume_molar": 10.607123264330685,
"formula_full": "Na1 Ta1 Be1",
"formula_reduced": "NaTaBe",
"formula_anonymous": "ABC",
"energy_above_hull": 2.529774766666667,
"spacegroup": 156
}
]
}