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=572",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=570",
"results": [
{
"id": "jvasp-14625",
"created_at": "2022-09-04T14:35:49.449393Z",
"updated_at": "2022-09-04T14:35:49.449415Z",
"structure_string": "Cr8\n1.0\n4.528916 0.000000 -0.000000\n0.000000 4.528916 0.000000\n-0.000000 0.000000 4.528916\nCr\n8\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Cr\n0.250000 0.000000 0.500000 Cr\n0.750001 0.000000 0.500000 Cr\n0.000000 0.500000 0.250000 Cr\n0.000000 0.500000 0.750001 Cr\n0.500000 0.750001 0.000000 Cr\n0.500000 0.250000 0.000000 Cr\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Cr"
],
"chemical_system": "Cr",
"density": 7.435789001831158,
"density_atomic": 0.08612062836666966,
"volume": 92.89295900093727,
"volume_molar": 6.992680933956915,
"formula_full": "Cr8",
"formula_reduced": "Cr",
"formula_anonymous": "A",
"energy_above_hull": 0.0657000000000005,
"spacegroup": 223
},
{
"id": "jvasp-90157",
"created_at": "2022-09-04T14:36:03.449059Z",
"updated_at": "2022-09-04T14:36:03.449085Z",
"structure_string": "Er3 Zn3 Ni3\n1.0\n0.000000 0.000000 -3.707077\n-3.482434 -6.031750 0.000000\n-3.482366 6.031710 0.000000\nEr Zn Ni\n3 3 3\ndirect\n0.500000 0.591953 -0.000000 Er\n0.500000 0.408024 0.408035 Er\n0.500000 0.999989 0.591965 Er\n0.000000 0.246941 -0.000000 Zn\n0.000000 0.753038 0.753051 Zn\n0.000000 0.999986 0.246949 Zn\n0.000000 0.333322 0.666665 Ni\n0.000000 0.666656 0.333335 Ni\n0.500000 0.999990 -0.000001 Ni\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Er",
"Zn",
"Ni"
],
"chemical_system": "Er-Ni-Zn",
"density": 9.320092397800988,
"density_atomic": 0.05779102002031813,
"volume": 155.73353778555537,
"volume_molar": 10.420547617748811,
"formula_full": "Er3 Zn3 Ni3",
"formula_reduced": "ErZnNi",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0658176,
"spacegroup": 189
},
{
"id": "jvasp-37231",
"created_at": "2022-09-04T14:37:54.880469Z",
"updated_at": "2022-09-04T14:37:54.880491Z",
"structure_string": "Sm1 Ag2 Hg1\n1.0\n0.000000 3.521004 3.521004\n3.521004 0.000000 3.521004\n3.521004 3.521004 0.000000\nSm Ag Hg\n1 2 1\ndirect\n0.750000 0.750000 0.750000 Sm\n0.499998 0.499998 0.499998 Ag\n0.000000 0.000000 0.000000 Ag\n0.250000 0.250000 0.250000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sm",
"Ag",
"Hg"
],
"chemical_system": "Ag-Hg-Sm",
"density": 10.778599533831553,
"density_atomic": 0.04581739996642629,
"volume": 87.30307706092202,
"volume_molar": 13.143785471049988,
"formula_full": "Sm1 Ag2 Hg1",
"formula_reduced": "SmAg2Hg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.065908831875,
"spacegroup": 225
},
{
"id": "jvasp-78365",
"created_at": "2022-09-04T14:38:01.300234Z",
"updated_at": "2022-09-04T14:38:01.300255Z",
"structure_string": "Pb2\n1.0\n-1.745203 -3.022781 -0.000000\n1.745203 -3.022781 -0.000000\n0.000000 -2.015187 6.181638\nPb\n2\ndirect\n0.090824 0.090824 0.727531 Pb\n0.909177 0.909177 0.272469 Pb\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Pb"
],
"chemical_system": "Pb",
"density": 10.550733295730371,
"density_atomic": 0.030665058421845744,
"volume": 65.22081166410571,
"volume_molar": 19.638445416134726,
"formula_full": "Pb2",
"formula_reduced": "Pb",
"formula_anonymous": "A",
"energy_above_hull": 0.06598082,
"spacegroup": 166
},
{
"id": "jvasp-36263",
"created_at": "2022-09-04T14:36:40.637637Z",
"updated_at": "2022-09-04T14:36:40.637658Z",
"structure_string": "Mg1 Ag1 Sb1\n1.0\n3.276414 3.276414 -0.000000\n3.276414 0.000000 -3.276414\n0.000000 3.276414 -3.276414\nMg Ag Sb\n1 1 1\ndirect\n0.499999 0.499999 0.499999 Mg\n0.749999 0.749999 0.749999 Ag\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Mg",
"Ag",
"Sb"
],
"chemical_system": "Ag-Mg-Sb",
"density": 5.994352364765494,
"density_atomic": 0.04264763376919402,
"volume": 70.3438792462857,
"volume_molar": 14.12069141418584,
"formula_full": "Mg1 Ag1 Sb1",
"formula_reduced": "MgAgSb",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0660841366666668,
"spacegroup": 216
},
{
"id": "jvasp-69117",
"created_at": "2022-09-04T14:36:19.037854Z",
"updated_at": "2022-09-04T14:36:19.037878Z",
"structure_string": "Ba2 Ca1 Ge1\n1.0\n0.000000 4.204713 4.204713\n4.204713 -0.000000 4.204713\n4.204713 4.204713 0.000000\nBa Ca Ge\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.749999 0.749999 0.749999 Ba\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"Ge"
],
"chemical_system": "Ba-Ca-Ge",
"density": 4.326515409043883,
"density_atomic": 0.026904252039461042,
"volume": 148.67538388107258,
"volume_molar": 22.383602231971356,
"formula_full": "Ba2 Ca1 Ge1",
"formula_reduced": "Ba2CaGe",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0662364925,
"spacegroup": 225
},
{
"id": "jvasp-114104",
"created_at": "2022-09-04T14:38:49.530804Z",
"updated_at": "2022-09-04T14:38:49.530825Z",
"structure_string": "Mg1 Ag1 O1\n1.0\n5.312646 -1.446972 0.000000\n-3.774196 4.003805 0.000000\n0.000000 0.000000 3.431333\nMg Ag O\n1 1 1\ndirect\n0.039052 0.294859 0.000000 Mg\n0.314875 0.018309 0.000000 Ag\n0.646072 0.686832 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Mg",
"Ag",
"O"
],
"chemical_system": "Ag-Mg-O",
"density": 4.535572125237261,
"density_atomic": 0.055301426393442946,
"volume": 54.24814865816387,
"volume_molar": 10.889666239628932,
"formula_full": "Mg1 Ag1 O1",
"formula_reduced": "MgAgO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0662866033333334,
"spacegroup": 38
},
{
"id": "jvasp-91685",
"created_at": "2022-09-04T14:35:56.559095Z",
"updated_at": "2022-09-04T14:35:56.559117Z",
"structure_string": "Eu4 Ga4\n1.0\n5.618782 -0.301398 1.260798\n-0.052407 5.581665 2.077778\n0.235365 -0.141191 6.114905\nEu Ga\n4 4\ndirect\n0.749492 0.831985 0.960088 Eu\n0.250506 0.168014 0.039914 Eu\n0.313009 0.723132 0.612554 Eu\n0.686989 0.276866 0.387449 Eu\n0.845829 0.769192 0.444369 Ga\n0.154169 0.230807 0.555633 Ga\n0.786180 0.374955 0.829703 Ga\n0.213818 0.625044 0.170299 Ga\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Eu",
"Ga"
],
"chemical_system": "Eu-Ga",
"density": 7.687825327021258,
"density_atomic": 0.041768047989836445,
"volume": 191.53396878749675,
"volume_molar": 14.4180565044969,
"formula_full": "Eu4 Ga4",
"formula_reduced": "EuGa",
"formula_anonymous": "AB",
"energy_above_hull": 0.0663561624999999,
"spacegroup": 2
},
{
"id": "jvasp-35088",
"created_at": "2022-09-04T14:37:30.864377Z",
"updated_at": "2022-09-04T14:37:30.864407Z",
"structure_string": "Sr2 Hg2 Pb2\n1.0\n5.089052 0.000000 0.000000\n-2.544527 4.407790 0.000000\n0.000000 0.000000 8.237970\nSr Hg Pb\n2 2 2\ndirect\n0.999954 0.999909 0.665730 Sr\n0.000045 0.000091 0.165730 Sr\n0.666640 0.333281 0.474783 Hg\n0.333359 0.666719 0.974783 Hg\n0.666676 0.333354 0.879487 Pb\n0.333322 0.666646 0.379487 Pb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sr",
"Hg",
"Pb"
],
"chemical_system": "Hg-Pb-Sr",
"density": 8.903604739142311,
"density_atomic": 0.03246932502112245,
"volume": 184.7897976350536,
"volume_molar": 18.547169539503464,
"formula_full": "Sr2 Hg2 Pb2",
"formula_reduced": "SrHgPb",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0663567577777778,
"spacegroup": 186
},
{
"id": "jvasp-52221",
"created_at": "2022-09-04T14:36:54.539404Z",
"updated_at": "2022-09-04T14:36:54.539422Z",
"structure_string": "Li8 Ag4 F12\n1.0\n5.324380 0.000000 0.000000\n-0.000000 5.444318 0.000000\n0.000000 0.000000 9.112792\nLi Ag F\n8 4 12\ndirect\n0.965506 0.000216 0.838945 Li\n0.965506 0.499785 0.838945 Li\n0.465506 0.500216 0.661055 Li\n0.465506 0.999785 0.661055 Li\n0.534494 0.000216 0.338945 Li\n0.534494 0.499785 0.338945 Li\n0.034494 0.500216 0.161055 Li\n0.034494 0.999785 0.161055 Li\n0.004279 0.250000 0.498477 Ag\n0.504279 0.750000 0.001523 Ag\n0.495721 0.250000 0.998477 Ag\n0.995721 0.750000 0.501523 Ag\n0.335482 0.750000 0.218791 F\n-0.000395 0.750000 0.000125 F\n0.664518 0.250000 0.781209 F\n0.664523 0.750000 0.781490 F\n0.164523 0.250000 0.718509 F\n0.164518 0.750000 0.718791 F\n0.499606 0.250000 0.499875 F\n0.500395 0.750000 0.500125 F\n0.835482 0.250000 0.281209 F\n0.835477 0.750000 0.281490 F\n0.335477 0.250000 0.218510 F\n0.000395 0.250000 -0.000125 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Li",
"Ag",
"F"
],
"chemical_system": "Ag-F-Li",
"density": 4.494485679275726,
"density_atomic": 0.09085467025192756,
"volume": 264.15813225067336,
"volume_molar": 6.62832273046771,
"formula_full": "Li8 Ag4 F12",
"formula_reduced": "Li2AgF3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.0664283333333335,
"spacegroup": 62
},
{
"id": "jvasp-50452",
"created_at": "2022-09-04T14:37:16.136776Z",
"updated_at": "2022-09-04T14:37:16.136802Z",
"structure_string": "Rb8 Mg4 O8\n1.0\n5.533071 0.000000 0.000000\n-0.000000 6.289143 0.000000\n0.000000 0.000000 10.985222\nRb Mg O\n8 4 8\ndirect\n0.499850 0.637175 0.155026 Rb\n0.999849 0.362824 0.155026 Rb\n0.999849 0.862824 0.344974 Rb\n0.499850 0.137175 0.344974 Rb\n0.500150 0.862824 0.655026 Rb\n0.000150 0.137175 0.655026 Rb\n0.000150 0.637175 0.844974 Rb\n0.500150 0.362824 0.844974 Rb\n0.750000 0.499964 0.500000 Mg\n0.250000 0.500035 0.500000 Mg\n0.250000 0.000035 0.000000 Mg\n0.750000 0.999964 0.000000 Mg\n0.000030 0.829299 0.091178 O\n0.500030 0.170700 0.091178 O\n0.500030 0.670700 0.408822 O\n0.000030 0.329299 0.408822 O\n-0.000030 0.670700 0.591178 O\n0.499970 0.329299 0.591178 O\n0.499970 0.829299 0.908822 O\n-0.000030 0.170700 0.908822 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Rb",
"Mg",
"O"
],
"chemical_system": "Mg-O-Rb",
"density": 3.948445719078847,
"density_atomic": 0.052319483134811655,
"volume": 382.2667733254548,
"volume_molar": 11.510321584184508,
"formula_full": "Rb8 Mg4 O8",
"formula_reduced": "Rb2MgO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.0667132099999995,
"spacegroup": 72
},
{
"id": "jvasp-64289",
"created_at": "2022-09-04T14:36:09.445101Z",
"updated_at": "2022-09-04T14:36:09.445126Z",
"structure_string": "Ba4 Sn1 Br1\n1.0\n0.000000 5.013732 5.013732\n5.013732 0.000000 5.013732\n5.013732 5.013732 -0.000000\nBa Sn Br\n4 1 1\ndirect\n0.122491 0.625836 0.625836 Ba\n0.625836 0.625836 0.625836 Ba\n0.625836 0.122491 0.625836 Ba\n0.625836 0.625836 0.122491 Ba\n0.000000 0.000000 0.000000 Sn\n0.250000 0.250000 0.250000 Br\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Sn",
"Br"
],
"chemical_system": "Ba-Br-Sn",
"density": 4.927107779317412,
"density_atomic": 0.023803340399395436,
"volume": 252.0654622135467,
"volume_molar": 25.299561569740657,
"formula_full": "Ba4 Sn1 Br1",
"formula_reduced": "Ba4SnBr",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0667469899999999,
"spacegroup": 216
}
]
}