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=formula_reduced&page=839",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=837",
"results": [
{
"id": "jvasp-117758",
"created_at": "2022-09-04T14:38:50.132136Z",
"updated_at": "2022-09-04T14:38:50.132164Z",
"structure_string": "Ca1 H1 Br1\n1.0\n6.143379 0.000000 0.000000\n0.000000 6.143379 0.000000\n0.000000 0.000000 8.397740\nCa H Br\n1 1 1\ndirect\n0.000000 0.000000 -0.005525 Ca\n0.000000 0.000000 0.754282 H\n0.000000 0.000000 0.305898 Br\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ca",
"H",
"Br"
],
"chemical_system": "Br-Ca-H",
"density": 0.6339008246013638,
"density_atomic": 0.00946551422774995,
"volume": 316.9399916176694,
"volume_molar": 63.62190806649418,
"formula_full": "Ca1 H1 Br1",
"formula_reduced": "CaHBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.5570481750000003,
"spacegroup": 99
},
{
"id": "jvasp-117757",
"created_at": "2022-09-04T14:38:49.996569Z",
"updated_at": "2022-09-04T14:38:49.996595Z",
"structure_string": "Ca1 H1 Br2\n1.0\n4.241456 -0.000000 0.000000\n0.000000 4.241456 -0.000000\n-0.000000 -0.000000 5.577802\nCa H Br\n1 1 2\ndirect\n0.500000 0.500000 0.502388 Ca\n0.000000 0.000000 0.002605 H\n0.000000 0.000000 0.502585 Br\n0.500000 0.500000 0.002421 Br\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"H",
"Br"
],
"chemical_system": "Br-Ca-H",
"density": 3.324473749135157,
"density_atomic": 0.03986272333975925,
"volume": 100.34437351174105,
"volume_molar": 15.107198544043003,
"formula_full": "Ca1 H1 Br2",
"formula_reduced": "CaHBr2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.2605196575,
"spacegroup": 123
},
{
"id": "jvasp-3702",
"created_at": "2022-09-04T14:35:41.744958Z",
"updated_at": "2022-09-04T14:35:41.744985Z",
"structure_string": "Ca2 H2 Cl2\n1.0\n3.811296 0.000000 0.000000\n0.000000 3.811296 0.000000\n0.000000 0.000000 6.839451\nCa H Cl\n2 2 2\ndirect\n0.000000 0.500001 0.806440 Ca\n0.500001 0.000000 0.193560 Ca\n0.500001 0.500001 0.000000 H\n0.000000 0.000000 0.000000 H\n0.500001 0.000000 0.650698 Cl\n0.000000 0.500001 0.349302 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"H",
"Cl"
],
"chemical_system": "Ca-Cl-H",
"density": 2.5585560521969537,
"density_atomic": 0.06039272830537488,
"volume": 99.34970928389085,
"volume_molar": 9.971632229544491,
"formula_full": "Ca2 H2 Cl2",
"formula_reduced": "CaHCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1080814958333332,
"spacegroup": 129
},
{
"id": "jvasp-51680",
"created_at": "2022-09-04T14:38:10.459518Z",
"updated_at": "2022-09-04T14:38:10.459534Z",
"structure_string": "Ca2 H2 Cl2 O2\n1.0\n1.931041 -3.344663 -0.000000\n1.931041 3.344663 0.000000\n0.000000 -0.000000 9.835094\nCa H Cl O\n2 2 2 2\ndirect\n0.666666 0.333333 0.500802 Ca\n0.333333 0.666666 0.000802 Ca\n0.000000 0.000000 0.331994 H\n0.000000 0.000000 0.831993 H\n0.666666 0.333333 0.183727 Cl\n0.333333 0.666666 0.683726 Cl\n0.000000 0.000000 0.431678 O\n0.000000 0.000000 0.931678 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ca",
"H",
"Cl",
"O"
],
"chemical_system": "Ca-Cl-H-O",
"density": 2.4190699481087914,
"density_atomic": 0.06297056869976886,
"volume": 127.04347705897985,
"volume_molar": 9.563421268612593,
"formula_full": "Ca2 H2 Cl2 O2",
"formula_reduced": "CaHClO",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.5953219968750001,
"spacegroup": 186
},
{
"id": "jvasp-101739",
"created_at": "2022-09-04T14:36:46.305264Z",
"updated_at": "2022-09-04T14:36:46.305288Z",
"structure_string": "Ca1 H1 F1\n1.0\n3.329292 -0.000000 1.922167\n1.109764 3.138886 1.922167\n-0.000000 -0.000000 3.844335\nCa H F\n1 1 1\ndirect\n0.249999 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 H\n0.499999 0.500001 0.500000 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ca",
"H",
"F"
],
"chemical_system": "Ca-F-H",
"density": 2.4834862497301127,
"density_atomic": 0.07467454737809812,
"volume": 40.17433121904524,
"volume_molar": 8.06451591799843,
"formula_full": "Ca1 H1 F1",
"formula_reduced": "CaHF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-70745",
"created_at": "2022-09-04T14:35:53.477915Z",
"updated_at": "2022-09-04T14:35:53.477945Z",
"structure_string": "Ca1 Hf2 Be1\n1.0\n3.239022 0.000000 0.000000\n0.000000 3.239022 0.000000\n0.000000 0.000000 8.226308\nCa Hf Be\n1 2 1\ndirect\n0.500000 0.500000 0.702072 Ca\n0.000000 0.000000 0.046622 Hf\n0.500000 0.500000 0.290102 Hf\n0.000000 0.000000 0.461204 Be\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Hf",
"Be"
],
"chemical_system": "Be-Ca-Hf",
"density": 7.812993016349702,
"density_atomic": 0.046347597832351733,
"volume": 86.30436499576045,
"volume_molar": 12.993425855172157,
"formula_full": "Ca1 Hf2 Be1",
"formula_reduced": "CaHf2Be",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.12489563,
"spacegroup": 99
},
{
"id": "jvasp-119221",
"created_at": "2022-09-04T14:38:51.845550Z",
"updated_at": "2022-09-04T14:38:51.845573Z",
"structure_string": "Ca1 Hf8 N8 O4\n1.0\n5.287219 0.002168 1.297711\n3.125957 4.475428 -1.227816\n0.015187 -0.026477 11.505823\nCa Hf N O\n1 8 8 4\ndirect\n0.744571 0.377389 0.141993 Ca\n0.256243 0.214266 0.295702 Hf\n0.113365 0.020943 0.774592 Hf\n0.266028 0.553907 0.967801 Hf\n0.658245 0.181695 0.557019 Hf\n0.473346 0.710933 0.466910 Hf\n0.954477 0.817714 0.267046 Hf\n0.557220 0.937279 0.001103 Hf\n0.863359 0.609629 0.706804 Hf\n0.697512 0.110441 0.875569 N\n0.986238 0.182676 0.627672 N\n0.792412 0.921370 0.123158 N\n0.400852 0.777916 0.867324 N\n0.203354 0.361827 0.122792 N\n0.266576 0.602019 0.632826 N\n0.504140 0.024204 0.401841 N\n0.868341 0.237796 0.393745 N\n0.026878 0.467960 0.863377 O\n0.355108 0.783084 0.125507 O\n0.304633 0.582470 0.341590 O\n0.609454 0.864864 0.620892 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Ca",
"Hf",
"N",
"O"
],
"chemical_system": "Ca-Hf-N-O",
"density": 10.0437428074635,
"density_atomic": 0.07725933580688375,
"volume": 271.81181122875915,
"volume_molar": 7.794709464048268,
"formula_full": "Ca1 Hf8 N8 O4",
"formula_reduced": "CaHf8(N2O)4",
"formula_anonymous": "AB4C8D8",
"energy_above_hull": 5.585753067619048,
"spacegroup": 1
},
{
"id": "jvasp-51227",
"created_at": "2022-09-04T14:37:05.904554Z",
"updated_at": "2022-09-04T14:37:05.904574Z",
"structure_string": "Ca1 Hf1 Be1\n1.0\n-0.000000 3.248829 3.248829\n3.248829 0.000000 3.248829\n3.248829 3.248829 -0.000000\nCa Hf Be\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Hf\n0.250000 0.250000 0.250000 Be\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ca",
"Hf",
"Be"
],
"chemical_system": "Be-Ca-Hf",
"density": 5.510271309831506,
"density_atomic": 0.04374321503758502,
"volume": 68.58206461098806,
"volume_molar": 13.767028223292824,
"formula_full": "Ca1 Hf1 Be1",
"formula_reduced": "CaHfBe",
"formula_anonymous": "ABC",
"energy_above_hull": 2.25271984,
"spacegroup": 216
},
{
"id": "jvasp-70811",
"created_at": "2022-09-04T14:36:17.572011Z",
"updated_at": "2022-09-04T14:36:17.572030Z",
"structure_string": "Ca1 Hf1 Be2\n1.0\n4.700840 0.000000 0.000000\n0.000000 4.700840 0.000000\n-0.000000 0.000000 3.150400\nCa Hf Be\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.500000 Hf\n0.500000 0.000000 0.000000 Be\n0.000000 0.500000 0.000000 Be\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Hf",
"Be"
],
"chemical_system": "Be-Ca-Hf",
"density": 5.643300585330975,
"density_atomic": 0.057457053833906355,
"volume": 69.61721378132225,
"volume_molar": 10.48111651775336,
"formula_full": "Ca1 Hf1 Be2",
"formula_reduced": "CaHfBe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.242538905,
"spacegroup": 123
},
{
"id": "jvasp-73741",
"created_at": "2022-09-04T14:35:45.076761Z",
"updated_at": "2022-09-04T14:35:45.076797Z",
"structure_string": "Ca1 Hf1 Be2\n1.0\n-2.316196 2.316196 3.275269\n2.316196 -2.316196 3.275269\n2.316196 2.316196 -3.275269\nCa Hf Be\n1 1 2\ndirect\n0.250000 0.750001 0.500001 Ca\n0.750001 0.250000 0.500001 Hf\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.000000 Be\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Hf",
"Be"
],
"chemical_system": "Be-Ca-Hf",
"density": 5.589748146578117,
"density_atomic": 0.05691181168175907,
"volume": 70.28417971241721,
"volume_molar": 10.58153058573282,
"formula_full": "Ca1 Hf1 Be2",
"formula_reduced": "CaHfBe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.257581405,
"spacegroup": 225
},
{
"id": "jvasp-74617",
"created_at": "2022-09-04T14:35:44.500586Z",
"updated_at": "2022-09-04T14:35:44.500607Z",
"structure_string": "Ca1 Hf1 Be2\n1.0\n-1.957925 1.957925 4.588545\n1.957925 -1.957925 4.588545\n1.957925 1.957925 -4.588545\nCa Hf Be\n1 1 2\ndirect\n0.500001 0.500001 0.000000 Ca\n0.749999 0.250000 0.499999 Hf\n0.000000 0.000000 0.000000 Be\n0.250000 0.749999 0.499999 Be\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Hf",
"Be"
],
"chemical_system": "Be-Ca-Hf",
"density": 5.58370841566261,
"density_atomic": 0.05685031838734611,
"volume": 70.36020401409625,
"volume_molar": 10.592976311880117,
"formula_full": "Ca1 Hf1 Be2",
"formula_reduced": "CaHfBe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.326548905,
"spacegroup": 119
},
{
"id": "jvasp-78796",
"created_at": "2022-09-04T14:37:09.445982Z",
"updated_at": "2022-09-04T14:37:09.446015Z",
"structure_string": "Ca1 Hf1 N2\n1.0\n5.881745 0.416247 0.262087\n4.747123 3.497574 0.262087\n4.747123 1.748012 3.040751\nCa Hf N\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.499999 0.500001 Hf\n0.762280 0.762279 0.762282 N\n0.237720 0.237720 0.237720 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Hf",
"N"
],
"chemical_system": "Ca-Hf-N",
"density": 7.845238133445689,
"density_atomic": 0.07664021430920015,
"volume": 52.1919208610541,
"volume_molar": 7.8576773490012055,
"formula_full": "Ca1 Hf1 N2",
"formula_reduced": "CaHfN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.37319248,
"spacegroup": 166
}
]
}