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=1121",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=1119",
"results": [
{
"id": "jvasp-35743",
"created_at": "2022-09-04T14:37:27.504201Z",
"updated_at": "2022-09-04T14:37:27.504230Z",
"structure_string": "Ba1 Ga1 Ge1 H1\n1.0\n2.187037 -3.788058 0.000000\n2.187037 3.788058 -0.000000\n0.000000 0.000000 5.240958\nBa Ga Ge H\n1 1 1 1\ndirect\n0.000000 0.000000 -0.000388 Ba\n0.666668 0.333334 0.549838 Ga\n0.333334 0.666668 0.444701 Ge\n0.666668 0.333334 0.885750 H\n",
"nsites": 4,
"nelements": 4,
"elements": [
"Ba",
"Ga",
"Ge",
"H"
],
"chemical_system": "Ba-Ga-Ge-H",
"density": 5.36753515354284,
"density_atomic": 0.046062400372519574,
"volume": 86.83872242112604,
"volume_molar": 13.073875245964725,
"formula_full": "Ba1 Ga1 Ge1 H1",
"formula_reduced": "BaGaGeH",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.53243606125,
"spacegroup": 156
},
{
"id": "jvasp-18874",
"created_at": "2022-09-04T14:36:12.832546Z",
"updated_at": "2022-09-04T14:36:12.832565Z",
"structure_string": "Ag2 Te4 Au2\n1.0\n0.000000 4.420475 -0.003583\n5.341308 0.000000 0.000000\n0.000000 -0.007709 -8.923487\nAg Te Au\n2 4 2\ndirect\n0.499999 0.500000 -0.000000 Ag\n0.499999 0.500000 0.500000 Ag\n0.154635 0.500000 0.749997 Te\n0.845363 0.500000 0.250003 Te\n0.336644 0.000000 0.250000 Te\n0.663355 0.000000 0.750000 Te\n-0.000000 0.000000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ag",
"Te",
"Au"
],
"chemical_system": "Ag-Au-Te",
"density": 8.827599545769342,
"density_atomic": 0.0379698190173663,
"volume": 210.69365635746198,
"volume_molar": 15.86033569779631,
"formula_full": "Ag2 Te4 Au2",
"formula_reduced": "AgTe2Au",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5325225908333333,
"spacegroup": 51
},
{
"id": "jvasp-5848",
"created_at": "2022-09-04T14:38:27.906498Z",
"updated_at": "2022-09-04T14:38:27.906515Z",
"structure_string": "Ag2 Te4 Au2\n1.0\n0.000000 4.420464 -0.003586\n5.341309 0.000000 0.000000\n0.000000 -0.007702 -8.923537\nAg Te Au\n2 4 2\ndirect\n0.500000 0.500000 0.000000 Ag\n0.500000 0.500000 0.500000 Ag\n0.154636 0.500000 0.749997 Te\n0.845364 0.500000 0.250004 Te\n0.336641 0.000000 0.250001 Te\n0.663359 0.000000 0.750000 Te\n0.000000 0.000000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ag",
"Te",
"Au"
],
"chemical_system": "Ag-Au-Te",
"density": 8.827570397795206,
"density_atomic": 0.03796969364429099,
"volume": 210.69435205208342,
"volume_molar": 15.860388067433014,
"formula_full": "Ag2 Te4 Au2",
"formula_reduced": "AgTe2Au",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5325225908333333,
"spacegroup": 51
},
{
"id": "jvasp-69361",
"created_at": "2022-09-04T14:36:15.365947Z",
"updated_at": "2022-09-04T14:36:15.365962Z",
"structure_string": "K2 Ba1 Fe1\n1.0\n4.355446 0.000000 0.000000\n0.000000 5.454517 0.000000\n0.000000 0.000000 7.466051\nK Ba Fe\n2 1 1\ndirect\n0.000000 0.000000 0.710960 K\n0.000000 0.000000 0.289040 K\n0.500000 0.500000 0.000000 Ba\n0.500000 0.500000 0.500000 Fe\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Ba",
"Fe"
],
"chemical_system": "Ba-Fe-K",
"density": 2.5405561979355658,
"density_atomic": 0.022551742593572892,
"volume": 177.36988542694593,
"volume_molar": 26.703660415653527,
"formula_full": "K2 Ba1 Fe1",
"formula_reduced": "K2BaFe",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5325343674999999,
"spacegroup": 47
},
{
"id": "jvasp-114975",
"created_at": "2022-09-04T14:38:43.839669Z",
"updated_at": "2022-09-04T14:38:43.839694Z",
"structure_string": "Ge2 Cl1\n1.0\n5.024593 -0.000000 0.000000\n-2.512296 4.351425 -0.000000\n0.000000 -0.000000 2.916415\nGe Cl\n2 1\ndirect\n0.333333 0.666666 0.000000 Ge\n0.666666 0.333333 0.000000 Ge\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ge",
"Cl"
],
"chemical_system": "Cl-Ge",
"density": 4.706573445752394,
"density_atomic": 0.04704782380206288,
"volume": 63.764904677024845,
"volume_molar": 12.800041050434196,
"formula_full": "Ge2 Cl1",
"formula_reduced": "Ge2Cl",
"formula_anonymous": "AB2",
"energy_above_hull": 0.5325886558333333,
"spacegroup": 191
},
{
"id": "jvasp-107908",
"created_at": "2022-09-04T14:36:11.947252Z",
"updated_at": "2022-09-04T14:36:11.947273Z",
"structure_string": "Ce1 Er1 In2\n1.0\n4.639693 -0.000000 2.678728\n1.546564 4.374345 2.678728\n0.000000 -0.000000 5.357457\nCe Er In\n1 1 2\ndirect\n0.499999 0.499999 0.500001 Ce\n0.000000 0.000000 0.000000 Er\n0.250000 0.250000 0.250001 In\n0.749999 0.749999 0.750002 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ce",
"Er",
"In"
],
"chemical_system": "Ce-Er-In",
"density": 8.201084898917463,
"density_atomic": 0.036787393675778574,
"volume": 108.73290005955671,
"volume_molar": 16.37012073504157,
"formula_full": "Ce1 Er1 In2",
"formula_reduced": "CeErIn2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5326338599999999,
"spacegroup": 225
},
{
"id": "jvasp-56834",
"created_at": "2022-09-04T14:37:32.336724Z",
"updated_at": "2022-09-04T14:37:32.336740Z",
"structure_string": "Ho7 Fe1 I12\n1.0\n9.110114 0.012870 -2.774745\n-3.749135 8.302910 -2.774744\n0.008298 0.012870 9.523304\nHo Fe I\n7 1 12\ndirect\n0.208590 0.476719 0.407350 Ho\n0.592649 0.791410 0.523280 Ho\n0.523280 0.592649 0.791409 Ho\n0.407350 0.208590 0.476719 Ho\n0.000000 0.000000 0.000000 Ho\n0.476719 0.407351 0.208590 Ho\n0.791409 0.523281 0.592649 Ho\n0.500000 0.500000 0.500000 Fe\n0.573675 0.731276 0.178005 I\n0.178005 0.573675 0.731276 I\n0.889253 0.657317 0.968885 I\n0.426324 0.268724 0.821994 I\n0.968885 0.889253 0.657316 I\n0.268724 0.821994 0.426324 I\n0.731276 0.178006 0.573675 I\n0.110747 0.342683 0.031115 I\n0.031115 0.110747 0.342683 I\n0.342683 0.031115 0.110747 I\n0.821994 0.426325 0.268724 I\n0.657316 0.968885 0.889253 I\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ho",
"Fe",
"I"
],
"chemical_system": "Fe-Ho-I",
"density": 6.290888477890748,
"density_atomic": 0.027721692614082045,
"volume": 721.4566685527858,
"volume_molar": 21.723568051327703,
"formula_full": "Ho7 Fe1 I12",
"formula_reduced": "Ho7FeI12",
"formula_anonymous": "AB7C12",
"energy_above_hull": 0.5326834883333335,
"spacegroup": 148
},
{
"id": "jvasp-109967",
"created_at": "2022-09-04T14:38:26.973322Z",
"updated_at": "2022-09-04T14:38:26.973355Z",
"structure_string": "Ge1 Au3\n1.0\n4.076689 0.000000 2.353678\n1.358896 3.843540 2.353678\n-0.000000 0.000000 4.707355\nGe Au\n1 3\ndirect\n0.000000 0.000000 0.000000 Ge\n0.250000 0.250000 0.250000 Au\n0.750001 0.750000 0.750001 Au\n0.500000 0.500000 0.500001 Au\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ge",
"Au"
],
"chemical_system": "Au-Ge",
"density": 14.93826213331568,
"density_atomic": 0.05423055552435433,
"volume": 73.75915590987529,
"volume_molar": 11.104700480701373,
"formula_full": "Ge1 Au3",
"formula_reduced": "GeAu3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.5328021649999999,
"spacegroup": 225
},
{
"id": "jvasp-67313",
"created_at": "2022-09-04T14:35:55.016920Z",
"updated_at": "2022-09-04T14:35:55.016946Z",
"structure_string": "Ca1 Be1 Pb1\n1.0\n-1.750994 1.750994 5.711014\n1.750994 -1.750994 5.711014\n1.750994 1.750994 -5.711014\nCa Be Pb\n1 1 1\ndirect\n0.347199 0.347199 0.000000 Ca\n0.015977 0.015977 0.000000 Be\n0.636823 0.636823 0.000000 Pb\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ca",
"Be",
"Pb"
],
"chemical_system": "Be-Ca-Pb",
"density": 6.076290586912998,
"density_atomic": 0.0428330226388055,
"volume": 70.0394185415737,
"volume_molar": 14.059574573530357,
"formula_full": "Ca1 Be1 Pb1",
"formula_reduced": "CaBePb",
"formula_anonymous": "ABC",
"energy_above_hull": 0.5329324466666666,
"spacegroup": 107
},
{
"id": "jvasp-5260",
"created_at": "2022-09-04T14:36:16.117003Z",
"updated_at": "2022-09-04T14:36:16.117023Z",
"structure_string": "Bi4 Te2 I2\n1.0\n-4.436076 0.014849 0.252609\n2.208633 3.821718 -0.513482\n1.182046 -0.563012 -18.262738\nBi Te I\n4 2 2\ndirect\n0.558535 0.442444 0.674913 Bi\n0.441466 0.557558 0.325087 Bi\n0.317762 0.682138 0.953356 Bi\n0.682240 0.317864 0.046644 Bi\n0.806141 0.193251 0.418884 Te\n0.193861 0.806751 0.581116 Te\n0.069473 0.929401 0.209397 I\n0.930528 0.070601 0.790603 I\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Bi",
"Te",
"I"
],
"chemical_system": "Bi-I-Te",
"density": 7.203453381797304,
"density_atomic": 0.02580368811508893,
"volume": 310.033200072742,
"volume_molar": 23.338294638891178,
"formula_full": "Bi4 Te2 I2",
"formula_reduced": "Bi2TeI",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5329731604166668,
"spacegroup": 166
},
{
"id": "jvasp-114348",
"created_at": "2022-09-04T14:38:40.799882Z",
"updated_at": "2022-09-04T14:38:40.799890Z",
"structure_string": "Mg3 N1\n1.0\n4.197398 0.363250 -0.665749\n2.615148 -5.601776 -0.214735\n-0.263439 -1.854677 -2.657191\nMg N\n3 1\ndirect\n0.131218 0.061018 0.004471 Mg\n0.487533 0.348423 0.225366 Mg\n0.843824 0.635948 0.446179 Mg\n-0.012461 0.348469 0.225351 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"N"
],
"chemical_system": "Mg-N",
"density": 2.136335940055818,
"density_atomic": 0.05920416073826922,
"volume": 67.56281906745151,
"volume_molar": 10.171820164165124,
"formula_full": "Mg3 N1",
"formula_reduced": "Mg3N",
"formula_anonymous": "AB3",
"energy_above_hull": 0.5330000999999999,
"spacegroup": 65
},
{
"id": "jvasp-25137",
"created_at": "2022-09-04T14:38:16.712108Z",
"updated_at": "2022-09-04T14:38:16.712127Z",
"structure_string": "Se1\n1.0\n2.831476 -0.000000 -1.001078\n-1.415739 2.452131 -1.001078\n0.000000 0.000000 3.003234\nSe\n1\ndirect\n0.000000 0.000000 0.000000 Se\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Se"
],
"chemical_system": "Se",
"density": 6.287970746016006,
"density_atomic": 0.047957250431049446,
"volume": 20.8519043734117,
"volume_molar": 12.557310325074486,
"formula_full": "Se1",
"formula_reduced": "Se",
"formula_anonymous": "A",
"energy_above_hull": 0.5330133666666665,
"spacegroup": 229
}
]
}