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=density_atomic&page=1525",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density_atomic&page=1523",
"results": [
{
"id": "jvasp-67557",
"created_at": "2022-09-04T14:36:13.915328Z",
"updated_at": "2022-09-04T14:36:13.915348Z",
"structure_string": "Be1 Hg1 Se1\n1.0\n-1.664935 1.664935 5.813707\n1.664935 -1.664935 5.813707\n1.664935 1.664935 -5.813707\nBe Hg Se\n1 1 1\ndirect\n0.112373 0.112373 0.000000 Be\n0.318936 0.318936 0.000000 Hg\n0.568692 0.568692 0.000000 Se\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Be",
"Hg",
"Se"
],
"chemical_system": "Be-Hg-Se",
"density": 7.4332854878687415,
"density_atomic": 0.04653862597907623,
"volume": 64.46258214303104,
"volume_molar": 12.940091447279848,
"formula_full": "Be1 Hg1 Se1",
"formula_reduced": "BeHgSe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.4436713555555552,
"spacegroup": 107
},
{
"id": "jvasp-101658",
"created_at": "2022-09-04T14:36:57.145542Z",
"updated_at": "2022-09-04T14:36:57.145569Z",
"structure_string": "Mg1 Cu1 Pb1\n1.0\n3.897650 -0.000000 2.250309\n1.299217 3.674739 2.250309\n-0.000000 -0.000000 4.500618\nMg Cu Pb\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Cu\n0.500000 0.500000 0.500000 Pb\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Mg",
"Cu",
"Pb"
],
"chemical_system": "Cu-Mg-Pb",
"density": 7.600544378584549,
"density_atomic": 0.046539291291621335,
"volume": 64.46166060418936,
"volume_molar": 12.939906459392502,
"formula_full": "Mg1 Cu1 Pb1",
"formula_reduced": "MgCuPb",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-33873",
"created_at": "2022-09-04T14:38:13.915867Z",
"updated_at": "2022-09-04T14:38:13.915887Z",
"structure_string": "Hf2 Mg6\n1.0\n6.291207 -0.000000 -0.000000\n-3.145604 5.448346 0.000000\n-0.000000 -0.000000 5.015004\nHf Mg\n2 6\ndirect\n0.666668 0.333332 0.249999 Hf\n0.333334 0.666668 0.749999 Hf\n0.168300 0.336599 0.249999 Mg\n0.663401 0.831701 0.249999 Mg\n0.168301 0.831701 0.249999 Mg\n0.831702 0.168300 0.749999 Mg\n0.336599 0.168300 0.749999 Mg\n0.831700 0.663400 0.749999 Mg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Hf",
"Mg"
],
"chemical_system": "Hf-Mg",
"density": 4.857167330198383,
"density_atomic": 0.046539321600503454,
"volume": 171.89764966220432,
"volume_molar": 12.93989803223701,
"formula_full": "Hf2 Mg6",
"formula_reduced": "HfMg3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.8165500714285718,
"spacegroup": 194
},
{
"id": "jvasp-86280",
"created_at": "2022-09-04T14:36:08.106091Z",
"updated_at": "2022-09-04T14:36:08.106125Z",
"structure_string": "Pr4 Al4 Pt4\n1.0\n4.506657 0.000000 0.000000\n0.000000 7.247378 0.000000\n0.000000 0.000000 7.894404\nPr Al Pt\n4 4 4\ndirect\n0.250000 0.527904 0.182055 Pr\n0.250000 0.027904 0.317944 Pr\n0.750001 0.972096 0.682055 Pr\n0.750001 0.472096 0.817944 Pr\n0.250000 0.147287 0.931373 Al\n0.750001 0.352713 0.431373 Al\n0.250000 0.647287 0.568627 Al\n0.750001 0.852713 0.068627 Al\n0.250000 0.786526 0.890998 Pt\n0.250000 0.286526 0.609002 Pt\n0.750001 0.713475 0.390998 Pt\n0.750001 0.213474 0.109002 Pt\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Pr",
"Al",
"Pt"
],
"chemical_system": "Al-Pr-Pt",
"density": 9.350371557887055,
"density_atomic": 0.04654001077865475,
"volume": 257.84265622696665,
"volume_molar": 12.939706414425697,
"formula_full": "Pr4 Al4 Pt4",
"formula_reduced": "PrAlPt",
"formula_anonymous": "ABC",
"energy_above_hull": 1.4149946833333338,
"spacegroup": 62
},
{
"id": "jvasp-15523",
"created_at": "2022-09-04T14:36:59.074158Z",
"updated_at": "2022-09-04T14:36:59.074178Z",
"structure_string": "Zr4 Sb2 P2\n1.0\n1.926269 -3.336395 -0.000000\n1.926269 3.336395 -0.000000\n-0.000000 -0.000000 13.373231\nZr Sb P\n4 2 2\ndirect\n0.666667 0.333334 0.602803 Zr\n0.333334 0.666667 0.397197 Zr\n0.333334 0.666667 0.102803 Zr\n0.666667 0.333334 0.897197 Zr\n0.666667 0.333334 0.250000 Sb\n0.333334 0.666667 0.750000 Sb\n0.000000 0.000000 0.500000 P\n0.000000 0.000000 0.000000 P\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Zr",
"Sb",
"P"
],
"chemical_system": "P-Sb-Zr",
"density": 6.475879120944095,
"density_atomic": 0.046540307434206396,
"volume": 171.89400846372848,
"volume_molar": 12.939623934615055,
"formula_full": "Zr4 Sb2 P2",
"formula_reduced": "Zr2SbP",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.0045351500000006,
"spacegroup": 194
},
{
"id": "jvasp-93193",
"created_at": "2022-09-04T14:35:49.064158Z",
"updated_at": "2022-09-04T14:35:49.064182Z",
"structure_string": "Hf1 Mg6 Ti1\n1.0\n6.421090 -0.130831 0.000000\n-3.323848 5.495411 0.000000\n0.000000 0.000000 4.932058\nHf Mg Ti\n1 6 1\ndirect\n0.307962 0.192038 0.750000 Hf\n0.180379 0.834066 0.250000 Mg\n0.665934 0.319621 0.250000 Mg\n0.672951 0.827048 0.250000 Mg\n0.317208 0.667084 0.750000 Mg\n0.832916 0.182792 0.750000 Mg\n0.829035 0.670965 0.750000 Mg\n0.193613 0.306387 0.250000 Ti\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Hf",
"Mg",
"Ti"
],
"chemical_system": "Hf-Mg-Ti",
"density": 3.5954940586869597,
"density_atomic": 0.04654127378041519,
"volume": 171.89043939245258,
"volume_molar": 12.939355266494978,
"formula_full": "Hf1 Mg6 Ti1",
"formula_reduced": "HfMg6Ti",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.6291182041666666,
"spacegroup": 38
},
{
"id": "jvasp-87180",
"created_at": "2022-09-04T14:35:51.564642Z",
"updated_at": "2022-09-04T14:35:51.564669Z",
"structure_string": "Tb4 Sb4 Rh4\n1.0\n4.578438 -0.000000 0.000000\n0.000000 7.177275 0.000000\n0.000000 0.000000 7.846304\nTb Sb Rh\n4 4 4\ndirect\n0.250000 0.509510 0.799412 Tb\n0.750000 0.490489 0.200588 Tb\n0.250000 0.009510 0.700588 Tb\n0.750000 0.990489 0.299412 Tb\n0.250000 0.192959 0.091116 Sb\n0.750000 0.307041 0.591116 Sb\n0.250000 0.692958 0.408883 Sb\n0.750000 0.807041 0.908883 Sb\n0.750000 0.199321 0.918360 Rh\n0.250000 0.300679 0.418360 Rh\n0.750000 0.699320 0.581639 Rh\n0.250000 0.800679 0.081639 Rh\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Tb",
"Sb",
"Rh"
],
"chemical_system": "Rh-Sb-Tb",
"density": 9.881782100766738,
"density_atomic": 0.04654137302104391,
"volume": 257.83510930316004,
"volume_molar": 12.93932767578013,
"formula_full": "Tb4 Sb4 Rh4",
"formula_reduced": "TbSbRh",
"formula_anonymous": "ABC",
"energy_above_hull": 1.4271691666666666,
"spacegroup": 62
},
{
"id": "jvasp-86882",
"created_at": "2022-09-04T14:35:54.137264Z",
"updated_at": "2022-09-04T14:35:54.137288Z",
"structure_string": "Pr4 Al4 Pt4\n1.0\n4.506604 0.000000 0.000000\n0.000000 7.247377 0.000000\n0.000000 0.000000 7.894258\nPr Al Pt\n4 4 4\ndirect\n0.250000 0.527923 0.182051 Pr\n0.250000 0.027923 0.317950 Pr\n0.749999 0.972078 0.682051 Pr\n0.749999 0.472077 0.817950 Pr\n0.250000 0.147266 0.931374 Al\n0.749999 0.352734 0.431373 Al\n0.250000 0.647266 0.568627 Al\n0.749999 0.852734 0.068627 Al\n0.250000 0.786521 0.890980 Pt\n0.250000 0.286520 0.609021 Pt\n0.749999 0.713480 0.390980 Pt\n0.749999 0.213480 0.109020 Pt\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Pr",
"Al",
"Pt"
],
"chemical_system": "Al-Pr-Pt",
"density": 9.350655745378111,
"density_atomic": 0.046541425277406484,
"volume": 257.83481980783677,
"volume_molar": 12.939313147600242,
"formula_full": "Pr4 Al4 Pt4",
"formula_reduced": "PrAlPt",
"formula_anonymous": "ABC",
"energy_above_hull": 1.4149946833333338,
"spacegroup": 62
},
{
"id": "jvasp-114394",
"created_at": "2022-09-04T14:38:40.398697Z",
"updated_at": "2022-09-04T14:38:40.398716Z",
"structure_string": "Zn1 Sn1 O1\n1.0\n3.114752 -0.000000 0.000000\n0.000000 3.114752 0.000000\n0.000000 -0.000000 6.643767\nZn Sn O\n1 1 1\ndirect\n0.000000 0.000000 0.460739 Zn\n0.000000 0.000000 -0.105839 Sn\n0.000000 0.000000 0.188821 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Zn",
"Sn",
"O"
],
"chemical_system": "O-Sn-Zn",
"density": 5.155547345601958,
"density_atomic": 0.04654359392358027,
"volume": 64.45570157142758,
"volume_molar": 12.938710254923004,
"formula_full": "Zn1 Sn1 O1",
"formula_reduced": "ZnSnO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.2658218666666669,
"spacegroup": 99
},
{
"id": "jvasp-111358",
"created_at": "2022-09-04T14:38:52.194004Z",
"updated_at": "2022-09-04T14:38:52.194031Z",
"structure_string": "La1 Y1 Al4\n1.0\n4.910528 -0.000000 2.835094\n1.636843 4.629690 2.835094\n-0.000000 -0.000000 5.670189\nLa Y Al\n1 1 4\ndirect\n0.750000 0.750000 0.749999 La\n0.000000 0.000000 0.000000 Y\n0.374938 0.374938 0.374937 Al\n0.374938 0.875187 0.374937 Al\n0.875187 0.374938 0.374937 Al\n0.374938 0.374938 0.875187 Al\n",
"nsites": 6,
"nelements": 3,
"elements": [
"La",
"Y",
"Al"
],
"chemical_system": "Al-La-Y",
"density": 4.324852274213724,
"density_atomic": 0.04654506182320001,
"volume": 128.90733764176352,
"volume_molar": 12.93830220459244,
"formula_full": "La1 Y1 Al4",
"formula_reduced": "LaYAl4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.045405275,
"spacegroup": 216
},
{
"id": "jvasp-80529",
"created_at": "2022-09-04T14:36:51.181417Z",
"updated_at": "2022-09-04T14:36:51.181432Z",
"structure_string": "Hf1 Mg3\n1.0\n4.412875 0.000000 0.000000\n0.000000 4.412875 0.000000\n-0.000000 0.000000 4.412875\nHf Mg\n1 3\ndirect\n0.000000 0.000000 0.000000 Hf\n0.499999 0.499999 0.000000 Mg\n0.499999 0.000000 0.499999 Mg\n0.000000 0.499999 0.499999 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Hf",
"Mg"
],
"chemical_system": "Hf-Mg",
"density": 4.858006942659669,
"density_atomic": 0.0465473664117482,
"volume": 85.93397024048241,
"volume_molar": 12.937661621345903,
"formula_full": "Hf1 Mg3",
"formula_reduced": "HfMg3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.8154375714285718,
"spacegroup": 221
},
{
"id": "jvasp-17716",
"created_at": "2022-09-04T14:38:31.494401Z",
"updated_at": "2022-09-04T14:38:31.494431Z",
"structure_string": "In1 P1\n1.0\n3.404605 0.000000 1.965650\n1.134868 3.209893 1.965650\n0.000000 0.000000 3.931299\nIn P\n1 1\ndirect\n0.000000 0.000000 0.000000 In\n0.500001 0.500000 0.500000 P\n",
"nsites": 2,
"nelements": 2,
"elements": [
"In",
"P"
],
"chemical_system": "In-P",
"density": 5.634932499456604,
"density_atomic": 0.04655181641408968,
"volume": 42.96287780071814,
"volume_molar": 12.936424878530193,
"formula_full": "In1 P1",
"formula_reduced": "InP",
"formula_anonymous": "AB",
"energy_above_hull": 0.821392735,
"spacegroup": 225
}
]
}