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=3448",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=3446",
"results": [
{
"id": "jvasp-53067",
"created_at": "2022-09-04T14:37:32.404310Z",
"updated_at": "2022-09-04T14:37:32.404340Z",
"structure_string": "Dy4 Zr4 O14\n1.0\n3.594357 0.000000 0.000000\n0.000000 7.493665 -0.000000\n0.000000 0.000000 10.615193\nDy Zr O\n4 4 14\ndirect\n0.500000 0.500000 0.500000 Dy\n0.000000 0.250000 0.224805 Dy\n0.500000 0.000000 0.500000 Dy\n0.000000 0.750000 0.775195 Dy\n0.000000 0.250000 0.755089 Zr\n0.000000 0.750000 0.244910 Zr\n0.500000 0.000000 0.000000 Zr\n0.500000 0.500000 0.000000 Zr\n0.500000 0.750000 0.379191 O\n0.000000 0.959158 0.630606 O\n0.000000 0.540843 0.630606 O\n0.000000 0.040843 0.369394 O\n0.500000 0.750000 0.890850 O\n0.000000 0.519654 0.118260 O\n0.500000 0.750000 0.133115 O\n0.000000 0.019653 0.881739 O\n0.500000 0.250000 0.109150 O\n0.000000 0.980347 0.118260 O\n0.000000 0.459157 0.369394 O\n0.500000 0.250000 0.620808 O\n0.000000 0.480347 0.881739 O\n0.500000 0.250000 0.866885 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Dy",
"Zr",
"O"
],
"chemical_system": "Dy-O-Zr",
"density": 7.195113092048739,
"density_atomic": 0.07694480471570027,
"volume": 285.919238878918,
"volume_molar": 7.826572284185949,
"formula_full": "Dy4 Zr4 O14",
"formula_reduced": "Dy2Zr2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.785654227272727,
"spacegroup": 51
},
{
"id": "jvasp-51802",
"created_at": "2022-09-04T14:37:05.858872Z",
"updated_at": "2022-09-04T14:37:05.858888Z",
"structure_string": "Rb2 P2 H4 O8\n1.0\n0.000000 4.877020 -0.015138\n6.005074 0.000000 0.000000\n0.000000 -2.315028 -7.092838\nRb P H O\n2 2 4 8\ndirect\n0.225090 0.749999 0.251492 Rb\n0.774910 0.250000 0.748509 Rb\n0.715079 0.250000 0.250369 P\n0.284921 0.749999 0.749631 P\n0.193034 0.250000 0.380640 H\n0.806966 0.749999 0.619360 H\n0.500000 0.000000 0.000000 H\n0.500000 0.500000 0.000000 H\n0.007364 0.250000 0.417494 O\n-0.007364 0.749999 0.582506 O\n0.473947 0.250000 0.338316 O\n0.526053 0.749999 0.661685 O\n0.714818 0.038456 0.129432 O\n0.285182 0.538456 0.870568 O\n0.285182 0.961543 0.870568 O\n0.714818 0.461544 0.129432 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Rb",
"P",
"H",
"O"
],
"chemical_system": "H-O-P-Rb",
"density": 2.9140853173335346,
"density_atomic": 0.07694621877841616,
"volume": 207.9374432429952,
"volume_molar": 7.826428453023926,
"formula_full": "Rb2 P2 H4 O8",
"formula_reduced": "RbP(HO2)2",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.2145686875,
"spacegroup": 11
},
{
"id": "jvasp-99874",
"created_at": "2022-09-04T14:36:34.233105Z",
"updated_at": "2022-09-04T14:36:34.233118Z",
"structure_string": "Cr3 Fe3 As3\n1.0\n3.665863 0.000000 0.000000\n-0.000000 5.256589 -3.034894\n0.000000 -0.000000 6.069786\nCr Fe As\n3 3 3\ndirect\n0.000000 0.413406 0.413406 Cr\n0.000000 0.000000 0.586595 Cr\n0.000000 0.586595 0.000000 Cr\n0.500000 0.753506 0.753507 Fe\n0.500000 0.000000 0.246494 Fe\n0.500000 0.246494 0.000000 Fe\n0.500000 0.666667 0.333334 As\n0.500000 0.333333 0.666668 As\n0.000000 0.000000 0.000000 As\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Cr",
"Fe",
"As"
],
"chemical_system": "As-Cr-Fe",
"density": 7.784026136528495,
"density_atomic": 0.07694650126622078,
"volume": 116.96438242021753,
"volume_molar": 7.826399720455771,
"formula_full": "Cr3 Fe3 As3",
"formula_reduced": "CrFeAs",
"formula_anonymous": "ABC",
"energy_above_hull": 3.10514155,
"spacegroup": 189
},
{
"id": "jvasp-67393",
"created_at": "2022-09-04T14:36:14.573531Z",
"updated_at": "2022-09-04T14:36:14.573566Z",
"structure_string": "Be1 Nb1 Fe1\n1.0\n1.511337 -2.617713 -0.000000\n1.511337 2.617713 0.000000\n0.000000 0.000000 4.927397\nBe Nb Fe\n1 1 1\ndirect\n0.000000 -0.000000 0.964195 Be\n0.666668 0.333334 0.323709 Nb\n0.333334 0.666668 0.712098 Fe\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Be",
"Nb",
"Fe"
],
"chemical_system": "Be-Fe-Nb",
"density": 6.7193135239195785,
"density_atomic": 0.07694676391548332,
"volume": 38.987994391747726,
"volume_molar": 7.826373005906514,
"formula_full": "Be1 Nb1 Fe1",
"formula_reduced": "BeNbFe",
"formula_anonymous": "ABC",
"energy_above_hull": 3.279037,
"spacegroup": 156
},
{
"id": "jvasp-71757",
"created_at": "2022-09-04T14:35:46.548762Z",
"updated_at": "2022-09-04T14:35:46.548781Z",
"structure_string": "Li2 Be1 Mo1\n1.0\n-1.677009 1.677009 4.620938\n1.677009 -1.677009 4.620938\n1.677009 1.677009 -4.620938\nLi Be Mo\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.000000 Li\n0.750000 0.250000 0.500000 Be\n0.250000 0.750000 0.500000 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Be",
"Mo"
],
"chemical_system": "Be-Li-Mo",
"density": 3.796029326571512,
"density_atomic": 0.07694830748816585,
"volume": 51.98294973044305,
"volume_molar": 7.826216009918303,
"formula_full": "Li2 Be1 Mo1",
"formula_reduced": "Li2BeMo",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.4117455,
"spacegroup": 139
},
{
"id": "jvasp-116668",
"created_at": "2022-09-04T14:38:42.936456Z",
"updated_at": "2022-09-04T14:38:42.936482Z",
"structure_string": "Na2 Sr2 Mg4 F14\n1.0\n6.481765 -0.001404 -3.541622\n-2.131961 5.974559 -3.783616\n-0.007307 0.001404 7.386224\nNa Sr Mg F\n2 2 4 14\ndirect\n-0.000000 -0.000000 0.499999 Na\n0.000000 0.500000 -0.000000 Na\n0.000000 0.000000 0.000000 Sr\n0.499999 -0.000000 0.500000 Sr\n0.499999 0.500000 0.499999 Mg\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 -0.000000 Mg\n-0.000000 0.500000 0.499999 Mg\n0.179324 0.826381 0.757376 F\n0.569003 0.421947 0.742622 F\n0.181234 0.431235 0.749999 F\n0.578688 0.828688 0.749999 F\n0.820675 0.578053 0.647056 F\n0.430995 0.173619 0.852942 F\n0.421311 0.171312 0.250000 F\n0.430996 0.578053 0.257377 F\n0.818765 0.568765 0.250000 F\n0.569004 0.826382 0.147057 F\n0.885245 0.135246 0.749999 F\n0.114754 0.864754 0.249999 F\n0.820675 0.173619 0.242623 F\n0.179324 0.421947 0.352942 F\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Na",
"Sr",
"Mg",
"F"
],
"chemical_system": "F-Mg-Na-Sr",
"density": 3.394302274079336,
"density_atomic": 0.07694867068295233,
"volume": 285.9048740509823,
"volume_molar": 7.826179070477666,
"formula_full": "Na2 Sr2 Mg4 F14",
"formula_reduced": "NaSrMg2F7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 0.0,
"spacegroup": 74
},
{
"id": "jvasp-96599",
"created_at": "2022-09-04T14:36:06.333444Z",
"updated_at": "2022-09-04T14:36:06.333479Z",
"structure_string": "Na4 Cd4 P4 O16\n1.0\n5.083198 0.000000 0.000000\n0.000000 6.561643 0.000000\n0.000000 0.000000 10.909231\nNa Cd P O\n4 4 4 16\ndirect\n0.499996 0.499588 -0.000004 Na\n0.500005 0.999588 0.000004 Na\n-0.000005 0.999588 0.500004 Na\n0.000005 0.499588 0.499996 Na\n0.020475 0.249584 0.214553 Cd\n0.479525 0.249584 0.714553 Cd\n0.520475 0.749584 0.285447 Cd\n0.979526 0.749584 0.785447 Cd\n0.569955 0.249585 0.397881 P\n0.930046 0.249585 0.897881 P\n0.430046 0.749585 0.602119 P\n0.069954 0.749585 0.102119 P\n0.766689 0.749585 0.103888 O\n0.233311 0.249585 0.896112 O\n0.193866 0.561451 0.169756 O\n0.306134 0.937714 0.669761 O\n0.693866 0.437714 0.330239 O\n0.193866 0.937714 0.169761 O\n0.806134 0.437714 0.830239 O\n0.820681 0.249591 0.030939 O\n0.179320 0.749591 0.969061 O\n0.679320 0.249591 0.530939 O\n0.320680 0.749591 0.469061 O\n0.693867 0.061451 0.330244 O\n0.306134 0.561451 0.669755 O\n0.806134 0.061451 0.830244 O\n0.266689 0.249585 0.396112 O\n0.733312 0.749585 0.603888 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Na",
"Cd",
"P",
"O"
],
"chemical_system": "Cd-Na-O-P",
"density": 4.205283377015594,
"density_atomic": 0.07695100014955003,
"volume": 363.86791523935415,
"volume_molar": 7.825942155782642,
"formula_full": "Na4 Cd4 P4 O16",
"formula_reduced": "NaCdPO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.329551178571428,
"spacegroup": 62
},
{
"id": "jvasp-70268",
"created_at": "2022-09-04T14:36:20.936652Z",
"updated_at": "2022-09-04T14:36:20.936679Z",
"structure_string": "Ta1 Ti1 Be2\n1.0\n-1.949464 1.949464 3.419429\n1.949464 -1.949464 3.419429\n1.949464 1.949464 -3.419429\nTa Ti Be\n1 1 2\ndirect\n0.250000 0.749999 0.499999 Ta\n0.749999 0.250000 0.499999 Ti\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.000000 Be\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Ti",
"Be"
],
"chemical_system": "Be-Ta-Ti",
"density": 7.885319299322807,
"density_atomic": 0.07695130159202213,
"volume": 51.980927122026706,
"volume_molar": 7.825911499103663,
"formula_full": "Ta1 Ti1 Be2",
"formula_reduced": "TaTiBe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.540507433333333,
"spacegroup": 139
},
{
"id": "jvasp-114162",
"created_at": "2022-09-04T14:38:40.696792Z",
"updated_at": "2022-09-04T14:38:40.696819Z",
"structure_string": "Ca1 Ge1 H2\n1.0\n0.000000 2.962132 2.962132\n2.962132 -0.000000 2.962132\n2.962132 2.962132 0.000000\nCa Ge H\n1 1 2\ndirect\n0.499999 0.499999 0.499999 Ca\n0.000000 0.000000 0.000000 Ge\n0.250000 0.250000 0.250000 H\n0.749999 0.749999 0.749999 H\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Ge",
"H"
],
"chemical_system": "Ca-Ge-H",
"density": 3.66519899449052,
"density_atomic": 0.07695144369164578,
"volume": 51.98083113331192,
"volume_molar": 7.825897047664869,
"formula_full": "Ca1 Ge1 H2",
"formula_reduced": "CaGeH2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.3869140925,
"spacegroup": 225
},
{
"id": "jvasp-113119",
"created_at": "2022-09-04T14:38:46.471877Z",
"updated_at": "2022-09-04T14:38:46.471913Z",
"structure_string": "Ba1 Sr1 Er1 Cu3 O7\n1.0\n3.754066 -0.000000 0.000000\n0.000000 3.897642 0.000000\n-0.000000 0.000000 11.545735\nBa Sr Er Cu O\n1 1 1 3 7\ndirect\n0.500000 0.500000 0.180308 Ba\n0.500000 0.500000 0.817979 Sr\n0.500000 0.500000 0.503892 Er\n0.000000 0.000000 0.356703 Cu\n0.000000 0.000000 0.651374 Cu\n0.000000 0.000000 0.995068 Cu\n0.000000 0.000000 0.157806 O\n0.000000 0.000000 0.833194 O\n0.500000 0.000000 0.384498 O\n0.500000 0.000000 0.622827 O\n-0.000000 0.500000 0.381510 O\n-0.000000 0.500000 0.628467 O\n-0.000000 0.500000 0.986370 O\n",
"nsites": 13,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Er",
"Cu",
"O"
],
"chemical_system": "Ba-Cu-Er-O-Sr",
"density": 6.829805699680702,
"density_atomic": 0.07695164653994127,
"volume": 168.93725585523933,
"volume_molar": 7.82587641821835,
"formula_full": "Ba1 Sr1 Er1 Cu3 O7",
"formula_reduced": "BaSrErCu3O7",
"formula_anonymous": "ABCD3E7",
"energy_above_hull": 1.367572163846154,
"spacegroup": 25
},
{
"id": "jvasp-71156",
"created_at": "2022-09-04T14:35:41.369731Z",
"updated_at": "2022-09-04T14:35:41.369755Z",
"structure_string": "Be2 In1 Re1\n1.0\n3.990590 0.000000 -0.000000\n0.000000 3.990590 -0.000000\n-0.000000 -0.000000 3.264131\nBe In Re\n2 1 1\ndirect\n0.500000 0.000000 0.000000 Be\n0.000000 0.500000 0.000000 Be\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.500000 Re\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"In",
"Re"
],
"chemical_system": "Be-In-Re",
"density": 10.1921353123711,
"density_atomic": 0.07695169518316473,
"volume": 51.9806612509182,
"volume_molar": 7.825871471272679,
"formula_full": "Be2 In1 Re1",
"formula_reduced": "Be2InRe",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.6151125424999995,
"spacegroup": 123
},
{
"id": "jvasp-47646",
"created_at": "2022-09-04T14:36:31.588019Z",
"updated_at": "2022-09-04T14:36:31.588048Z",
"structure_string": "Li2 Ag2 F8\n1.0\n0.000000 5.940754 0.096828\n4.835905 0.000000 0.000000\n0.000000 -3.267563 -5.481092\nLi Ag F\n2 2 8\ndirect\n0.500000 0.000000 0.500000 Li\n0.500000 0.500000 -0.000000 Li\n0.000000 0.000000 0.000000 Ag\n0.000000 0.500000 0.500000 Ag\n0.324110 0.224148 0.155749 F\n0.675889 0.724149 0.344250 F\n0.820252 0.208758 0.691196 F\n0.179747 0.708759 0.808803 F\n0.820252 0.291242 0.191197 F\n0.179747 0.791243 0.308803 F\n0.324110 0.275852 0.655749 F\n0.675890 0.775853 0.844250 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"Ag",
"F"
],
"chemical_system": "Ag-F-Li",
"density": 4.063665616844968,
"density_atomic": 0.07695473456249682,
"volume": 155.9358247185494,
"volume_molar": 7.825562383181601,
"formula_full": "Li2 Ag2 F8",
"formula_reduced": "LiAgF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0041849999999999,
"spacegroup": 14
}
]
}