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=607",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=605",
"results": [
{
"id": "jvasp-99373",
"created_at": "2022-09-04T14:36:00.972952Z",
"updated_at": "2022-09-04T14:36:00.972979Z",
"structure_string": "Ga3 Sb1\n1.0\n3.964914 -0.423107 -3.476641\n-1.093201 3.834641 -3.476641\n0.356157 0.423107 5.261248\nGa Sb\n3 1\ndirect\n0.750000 0.250000 0.500000 Ga\n0.250000 0.750000 0.500001 Ga\n0.500000 0.500000 -0.000000 Ga\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ga",
"Sb"
],
"chemical_system": "Ga-Sb",
"density": 6.087446946263172,
"density_atomic": 0.04431096989637984,
"volume": 90.27110012157048,
"volume_molar": 13.590631787303764,
"formula_full": "Ga3 Sb1",
"formula_reduced": "Ga3Sb",
"formula_anonymous": "AB3",
"energy_above_hull": 0.09407076875,
"spacegroup": 139
},
{
"id": "jvasp-51421",
"created_at": "2022-09-04T14:37:10.701652Z",
"updated_at": "2022-09-04T14:37:10.701669Z",
"structure_string": "Tb2 O2 F2\n1.0\n7.656775 0.823473 14.217117\n-0.845194 1.731032 3.889309\n-4.782249 -2.274038 -6.486982\nTb O F\n2 2 2\ndirect\n0.384201 0.557919 0.000001 Tb\n0.615801 0.442081 0.000002 Tb\n0.422425 -0.042357 0.000001 O\n0.577576 0.042358 0.000002 O\n0.175576 0.259759 0.000001 F\n0.824425 0.740241 0.000002 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Tb",
"O",
"F"
],
"chemical_system": "F-O-Tb",
"density": 6.023103896307819,
"density_atomic": 0.05611291724015492,
"volume": 106.92725124806637,
"volume_molar": 10.732182634929021,
"formula_full": "Tb2 O2 F2",
"formula_reduced": "TbOF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0940933333333333,
"spacegroup": 12
},
{
"id": "jvasp-64351",
"created_at": "2022-09-04T14:36:10.124516Z",
"updated_at": "2022-09-04T14:36:10.124544Z",
"structure_string": "Ba1 Ca1 Bi1\n1.0\n0.000000 4.051537 4.051537\n4.051537 -0.000000 4.051537\n4.051537 4.051537 -0.000000\nBa Ca Bi\n1 1 1\ndirect\n0.750001 0.750001 0.750001 Ba\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"Bi"
],
"chemical_system": "Ba-Bi-Ca",
"density": 4.82370101599614,
"density_atomic": 0.022554428696728045,
"volume": 133.01157126782857,
"volume_molar": 26.700480162787844,
"formula_full": "Ba1 Ca1 Bi1",
"formula_reduced": "BaCaBi",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0941083783333333,
"spacegroup": 216
},
{
"id": "jvasp-94153",
"created_at": "2022-09-04T14:36:09.778846Z",
"updated_at": "2022-09-04T14:36:09.778874Z",
"structure_string": "Mg6 Cu1 Mo1\n1.0\n6.077965 0.025174 0.000000\n-3.017181 5.225911 0.000000\n0.000000 0.000000 4.749905\nMg Cu Mo\n6 1 1\ndirect\n0.657335 0.330590 0.250000 Mg\n0.657335 0.826743 0.250000 Mg\n0.324631 0.154402 0.749999 Mg\n0.324631 0.670230 0.749999 Mg\n0.860004 0.180002 0.749999 Mg\n0.851836 0.675919 0.749999 Mg\n0.168455 0.334228 0.250000 Cu\n0.155769 0.827883 0.250000 Mo\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Cu",
"Mo"
],
"chemical_system": "Cu-Mg-Mo",
"density": 3.352403201241882,
"density_atomic": 0.05289901340022793,
"volume": 151.2315539700695,
"volume_molar": 11.384221317016193,
"formula_full": "Mg6 Cu1 Mo1",
"formula_reduced": "Mg6CuMo",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0942038312499999,
"spacegroup": 38
},
{
"id": "jvasp-94245",
"created_at": "2022-09-04T14:35:54.114382Z",
"updated_at": "2022-09-04T14:35:54.114420Z",
"structure_string": "Ce1 Mg6 Fe1\n1.0\n6.892278 -0.373739 0.000000\n-3.769806 5.782018 0.000000\n0.000000 0.000000 4.678605\nCe Mg Fe\n1 6 1\ndirect\n0.283093 0.216907 0.749999 Ce\n0.176148 0.843189 0.250000 Mg\n0.656812 0.323852 0.250000 Mg\n0.685377 0.814623 0.250000 Mg\n0.317303 0.691255 0.749999 Mg\n0.808745 0.182696 0.749999 Mg\n0.845593 0.654407 0.749999 Mg\n0.226927 0.273073 0.250000 Fe\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ce",
"Mg",
"Fe"
],
"chemical_system": "Ce-Fe-Mg",
"density": 3.1556104771394575,
"density_atomic": 0.04447988503765584,
"volume": 179.85657996254596,
"volume_molar": 13.53902051433309,
"formula_full": "Ce1 Mg6 Fe1",
"formula_reduced": "CeMg6Fe",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0942131624999999,
"spacegroup": 38
},
{
"id": "jvasp-96895",
"created_at": "2022-09-04T14:36:31.665944Z",
"updated_at": "2022-09-04T14:36:31.665964Z",
"structure_string": "Yb1 Cu2 Ge2\n1.0\n3.856390 0.000000 -1.412280\n-0.517203 3.821550 -1.412280\n-0.048237 -0.055205 5.839578\nYb Cu Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.250000 0.750001 0.500000 Cu\n0.750000 0.250001 0.500000 Cu\n0.620729 0.620729 0.241457 Ge\n0.379271 0.379273 0.758544 Ge\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Yb",
"Cu",
"Ge"
],
"chemical_system": "Cu-Ge-Yb",
"density": 8.654744347661318,
"density_atomic": 0.05850772848670716,
"volume": 85.45879543308521,
"volume_molar": 10.292897905561686,
"formula_full": "Yb1 Cu2 Ge2",
"formula_reduced": "Yb(CuGe)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.0942352799999999,
"spacegroup": 139
},
{
"id": "jvasp-39580",
"created_at": "2022-09-04T14:37:45.662515Z",
"updated_at": "2022-09-04T14:37:45.662530Z",
"structure_string": "Zn3 B1\n1.0\n-1.856684 1.856684 3.756079\n1.856684 -1.856684 3.756079\n1.856684 1.856684 -3.756079\nZn B\n3 1\ndirect\n0.250000 0.750001 0.500000 Zn\n0.750001 0.250000 0.500000 Zn\n0.499999 0.499999 0.000000 Zn\n0.000000 0.000000 0.000000 B\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zn",
"B"
],
"chemical_system": "B-Zn",
"density": 6.637865710629353,
"density_atomic": 0.07723057925443948,
"volume": 51.792956088310916,
"volume_molar": 7.797611798507683,
"formula_full": "Zn3 B1",
"formula_reduced": "Zn3B",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0943509458333333,
"spacegroup": 139
},
{
"id": "jvasp-103274",
"created_at": "2022-09-04T14:36:44.097981Z",
"updated_at": "2022-09-04T14:36:44.098010Z",
"structure_string": "Mg1 Ag1 Au2\n1.0\n4.028374 0.000000 2.325783\n1.342791 3.797987 2.325783\n0.000000 0.000000 4.651566\nMg Ag Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.499999 0.500000 0.500000 Ag\n0.749999 0.750001 0.750000 Au\n0.250000 0.250000 0.250000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Ag",
"Au"
],
"chemical_system": "Ag-Au-Mg",
"density": 12.275528124429243,
"density_atomic": 0.056205335655316574,
"volume": 71.1676205357139,
"volume_molar": 10.714535710508391,
"formula_full": "Mg1 Ag1 Au2",
"formula_reduced": "MgAgAu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0943849962499999,
"spacegroup": 225
},
{
"id": "jvasp-68444",
"created_at": "2022-09-04T14:36:17.267241Z",
"updated_at": "2022-09-04T14:36:17.267256Z",
"structure_string": "Sr2 Be1 Cl1\n1.0\n-2.153293 2.153293 6.756529\n2.153293 -2.153293 6.756529\n2.153293 2.153293 -6.756529\nSr Be Cl\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.250000 0.749999 0.499999 Sr\n0.500000 0.500000 0.000000 Be\n0.749999 0.250000 0.499999 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Be",
"Cl"
],
"chemical_system": "Be-Cl-Sr",
"density": 2.9113840888626497,
"density_atomic": 0.031920530296120506,
"volume": 125.31120137706937,
"volume_molar": 18.866042337435438,
"formula_full": "Sr2 Be1 Cl1",
"formula_reduced": "Sr2BeCl",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0944356968749999,
"spacegroup": 119
},
{
"id": "jvasp-79176",
"created_at": "2022-09-04T14:38:04.720963Z",
"updated_at": "2022-09-04T14:38:04.720989Z",
"structure_string": "Ca1 Mg3\n1.0\n6.499989 -1.741769 0.000000\n-2.379205 4.120905 0.000000\n0.000000 0.000000 4.764682\nCa Mg\n1 3\ndirect\n0.249985 0.749985 0.250000 Ca\n0.750011 0.750011 0.250000 Mg\n0.249994 0.249994 0.750000 Mg\n0.750005 0.250005 0.750000 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ca",
"Mg"
],
"chemical_system": "Ca-Mg",
"density": 1.7392240924755706,
"density_atomic": 0.03707788022865375,
"volume": 107.88103244663927,
"volume_molar": 16.24186906819472,
"formula_full": "Ca1 Mg3",
"formula_reduced": "CaMg3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.094503,
"spacegroup": 221
},
{
"id": "jvasp-57512",
"created_at": "2022-09-04T14:37:19.999659Z",
"updated_at": "2022-09-04T14:37:19.999687Z",
"structure_string": "K4 Li4 O4\n1.0\n5.340002 0.000947 -0.000000\n-1.540453 5.112986 0.000000\n0.000000 -0.000000 6.406366\nK Li O\n4 4 4\ndirect\n0.178939 0.821062 0.000000 K\n0.821061 0.178939 0.000000 K\n0.678939 0.321062 0.500000 K\n0.321062 0.678939 0.500000 K\n0.125342 0.125342 0.373479 Li\n0.625342 0.625343 0.126521 Li\n0.374658 0.374659 0.873479 Li\n0.874659 0.874659 0.626522 Li\n0.330188 0.330188 0.166553 O\n0.169813 0.169813 0.666553 O\n0.669813 0.669814 0.833448 O\n0.830188 0.830188 0.333447 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"K",
"Li",
"O"
],
"chemical_system": "K-Li-O",
"density": 2.3557044596584933,
"density_atomic": 0.06860097253774998,
"volume": 174.92463380743763,
"volume_molar": 8.778506393165369,
"formula_full": "K4 Li4 O4",
"formula_reduced": "KLiO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0945038333333333,
"spacegroup": 64
},
{
"id": "jvasp-30700",
"created_at": "2022-09-04T14:38:14.822477Z",
"updated_at": "2022-09-04T14:38:14.822486Z",
"structure_string": "Y2 Bi6 F30\n1.0\n10.879633 -1.867396 0.000000\n-2.789955 5.374752 0.000000\n0.000000 0.000000 11.319720\nY Bi F\n2 6 30\ndirect\n0.830792 0.523462 0.250000 Y\n0.502540 0.476536 0.750000 Y\n0.166667 -0.000000 0.500000 Bi\n0.478222 0.887553 0.447214 Bi\n0.855109 0.112446 0.552786 Bi\n0.166667 -0.000000 0.000000 Bi\n0.478222 0.887553 0.052786 Bi\n0.855109 0.112446 0.947214 Bi\n0.634036 0.310444 0.129699 F\n0.911769 0.380987 0.116713 F\n0.254399 0.361173 0.406276 F\n0.634036 0.310444 0.370301 F\n0.911769 0.380987 0.383287 F\n0.078935 0.638826 0.593724 F\n0.394318 0.175010 0.957179 F\n0.699296 0.689554 0.629699 F\n0.107024 0.166422 0.874104 F\n0.254399 0.361173 0.093724 F\n0.676375 0.159796 0.916819 F\n0.226309 0.833577 0.125896 F\n0.421562 0.619011 0.616713 F\n0.699296 0.689554 0.870301 F\n0.656957 0.840203 0.416819 F\n0.078935 0.638826 0.906276 F\n0.939014 0.824988 0.457179 F\n0.656957 0.840203 0.083181 F\n0.226309 0.833577 0.374104 F\n0.676375 0.159796 0.583181 F\n0.394318 0.175010 0.542821 F\n0.107024 0.166422 0.625896 F\n0.879314 0.206107 0.750000 F\n0.452510 0.058902 0.750000 F\n0.268759 0.063478 0.750000 F\n0.880823 0.941097 0.250000 F\n0.454018 0.793891 0.250000 F\n0.064573 0.936521 0.250000 F\n0.421562 0.619011 0.883287 F\n0.939014 0.824988 0.042821 F\n",
"nsites": 38,
"nelements": 3,
"elements": [
"Y",
"Bi",
"F"
],
"chemical_system": "Bi-F-Y",
"density": 5.512590239245092,
"density_atomic": 0.06302355476849313,
"volume": 602.9491693952663,
"volume_molar": 9.555380971640469,
"formula_full": "Y2 Bi6 F30",
"formula_reduced": "YBi3F15",
"formula_anonymous": "AB3C15",
"energy_above_hull": 0.0945069782894736,
"spacegroup": 11
}
]
}