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=3455",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=3453",
"results": [
{
"id": "jvasp-66207",
"created_at": "2022-09-04T14:35:42.526234Z",
"updated_at": "2022-09-04T14:35:42.526263Z",
"structure_string": "Ba1 Bi1 Sb1\n1.0\n-0.000000 3.992619 3.992619\n3.992619 -0.000000 3.992619\n3.992619 3.992619 -0.000000\nBa Bi Sb\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Bi",
"Sb"
],
"chemical_system": "Ba-Bi-Sb",
"density": 6.105959069731032,
"density_atomic": 0.02356772443803575,
"volume": 127.29273069564262,
"volume_molar": 25.552491399131085,
"formula_full": "Ba1 Bi1 Sb1",
"formula_reduced": "BaBiSb",
"formula_anonymous": "ABC",
"energy_above_hull": 0.6047521233333335,
"spacegroup": 216
},
{
"id": "jvasp-64046",
"created_at": "2022-09-04T14:35:43.763966Z",
"updated_at": "2022-09-04T14:35:43.763995Z",
"structure_string": "Ba4 Li1 Rh1\n1.0\n0.000000 4.934622 4.934622\n4.934622 -0.000000 4.934622\n4.934622 4.934622 0.000000\nBa Li Rh\n4 1 1\ndirect\n0.120911 0.626363 0.626363 Ba\n0.626363 0.626363 0.626363 Ba\n0.626363 0.120911 0.626363 Ba\n0.626363 0.626363 0.120911 Ba\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Li",
"Rh"
],
"chemical_system": "Ba-Li-Rh",
"density": 4.554541370253089,
"density_atomic": 0.02496661032130034,
"volume": 240.32096959838722,
"volume_molar": 24.120778441686138,
"formula_full": "Ba4 Li1 Rh1",
"formula_reduced": "Ba4LiRh",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.6046394799999999,
"spacegroup": 216
},
{
"id": "jvasp-22515",
"created_at": "2022-09-04T14:37:40.350278Z",
"updated_at": "2022-09-04T14:37:40.350307Z",
"structure_string": "Mn4 F8\n1.0\n4.705491 -0.000000 0.000000\n-0.000000 4.744235 0.000000\n0.000000 0.000000 5.592879\nMn F\n4 8\ndirect\n0.500000 0.750001 0.374803 Mn\n0.000000 0.250000 0.125197 Mn\n0.500000 0.250000 0.625197 Mn\n0.000000 0.750001 0.874803 Mn\n0.755151 0.084447 0.374072 F\n0.255151 0.915554 0.125928 F\n0.744849 0.584447 0.125928 F\n0.244849 0.415554 0.374072 F\n0.755151 0.584447 0.625929 F\n0.255151 0.415554 0.874072 F\n0.744849 0.084447 0.874072 F\n0.244849 0.915554 0.625929 F\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mn",
"F"
],
"chemical_system": "F-Mn",
"density": 4.944030414692539,
"density_atomic": 0.09611135104033354,
"volume": 124.85517964432889,
"volume_molar": 6.265795553610295,
"formula_full": "Mn4 F8",
"formula_reduced": "MnF2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.6046259354597701,
"spacegroup": 60
},
{
"id": "jvasp-18525",
"created_at": "2022-09-04T14:37:15.362828Z",
"updated_at": "2022-09-04T14:37:15.362840Z",
"structure_string": "Rb2 W1 Br6\n1.0\n6.530270 -0.000000 3.770253\n2.176757 6.156798 3.770253\n0.000000 0.000000 7.540507\nRb W Br\n2 1 6\ndirect\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 W\n0.238698 0.761302 0.761301 Br\n0.238698 0.761302 0.238698 Br\n0.761302 0.238698 0.761302 Br\n0.761302 0.238698 0.238698 Br\n0.761302 0.761302 0.238697 Br\n0.238698 0.238698 0.761302 Br\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Rb",
"W",
"Br"
],
"chemical_system": "Br-Rb-W",
"density": 4.569119160363763,
"density_atomic": 0.029686289550113956,
"volume": 303.17025591247904,
"volume_molar": 20.285932837224124,
"formula_full": "Rb2 W1 Br6",
"formula_reduced": "Rb2WBr6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.6044471811111116,
"spacegroup": 225
},
{
"id": "jvasp-98092",
"created_at": "2022-09-04T14:35:53.694121Z",
"updated_at": "2022-09-04T14:35:53.694149Z",
"structure_string": "Tl12 Si4 Te12\n1.0\n9.490796 0.022732 1.092695\n1.833202 9.612872 0.154233\n-0.002627 0.011014 10.592237\nTl Si Te\n12 4 12\ndirect\n0.098169 0.962092 0.646418 Tl\n0.486607 0.618674 0.645443 Tl\n0.196220 0.150570 0.158030 Tl\n0.641738 0.220535 0.916234 Tl\n0.803780 0.849430 0.841970 Tl\n0.683360 0.712386 0.239001 Tl\n0.098132 0.568549 0.344504 Tl\n0.358262 0.779465 0.083766 Tl\n0.316640 0.287613 0.760999 Tl\n0.901868 0.431450 0.655496 Tl\n0.513394 0.381325 0.354558 Tl\n0.901831 0.037907 0.353583 Tl\n0.574861 0.982049 0.582260 Si\n0.425139 0.017950 0.417740 Si\n0.087786 0.570804 0.985199 Si\n0.912214 0.429195 0.014802 Si\n0.311877 0.442685 0.077306 Te\n0.318756 0.798070 0.406388 Te\n0.127351 0.619549 0.748180 Te\n0.221633 0.225939 0.472997 Te\n0.002850 0.201733 0.894829 Te\n0.778367 0.774060 0.527004 Te\n0.681244 0.201929 0.593613 Te\n0.580309 0.067418 0.216730 Te\n0.688123 0.557315 0.922694 Te\n0.872649 0.380450 0.251820 Te\n0.419691 0.932582 0.783270 Te\n0.997150 0.798266 0.105171 Te\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Tl",
"Si",
"Te"
],
"chemical_system": "Si-Te-Tl",
"density": 7.041479412923173,
"density_atomic": 0.028986640636196548,
"volume": 965.9622289943976,
"volume_molar": 20.77557325659863,
"formula_full": "Tl12 Si4 Te12",
"formula_reduced": "Tl3SiTe3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 0.6044370999999997,
"spacegroup": 2
},
{
"id": "jvasp-113717",
"created_at": "2022-09-04T14:38:46.867714Z",
"updated_at": "2022-09-04T14:38:46.867740Z",
"structure_string": "Sr1 Sb1 O1\n1.0\n5.216068 0.071052 0.000000\n-0.062049 4.499226 0.000000\n0.000000 0.000000 3.637474\nSr Sb O\n1 1 1\ndirect\n-0.143056 0.415095 0.000000 Sr\n0.383369 -0.084992 0.000000 Sb\n-0.005309 -0.084881 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sr",
"Sb",
"O"
],
"chemical_system": "O-Sb-Sr",
"density": 4.38329587535959,
"density_atomic": 0.035136518372928104,
"volume": 85.38125400356776,
"volume_molar": 17.139264329159953,
"formula_full": "Sr1 Sb1 O1",
"formula_reduced": "SrSbO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.6044186366666668,
"spacegroup": 25
},
{
"id": "jvasp-78426",
"created_at": "2022-09-04T14:37:09.644652Z",
"updated_at": "2022-09-04T14:37:09.644672Z",
"structure_string": "K1 Ge1\n1.0\n-3.373657 -3.373657 0.000000\n-3.373657 -0.000000 -3.373657\n0.000000 -3.373657 -3.373657\nK Ge\n1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.500001 0.500001 0.500001 Ge\n",
"nsites": 2,
"nelements": 2,
"elements": [
"K",
"Ge"
],
"chemical_system": "Ge-K",
"density": 2.4161193541842367,
"density_atomic": 0.02604337250322586,
"volume": 76.79496961279766,
"volume_molar": 23.12350583340951,
"formula_full": "K1 Ge1",
"formula_reduced": "KGe",
"formula_anonymous": "AB",
"energy_above_hull": 0.60425365,
"spacegroup": 225
},
{
"id": "jvasp-109526",
"created_at": "2022-09-04T14:38:07.626842Z",
"updated_at": "2022-09-04T14:38:07.626871Z",
"structure_string": "Ga2 Ni6\n1.0\n5.071582 0.000000 0.000000\n-2.535792 4.392118 0.000000\n-0.000000 0.000000 4.077073\nGa Ni\n2 6\ndirect\n0.333334 0.666667 0.749999 Ga\n0.666667 0.333333 0.250000 Ga\n0.164497 0.328994 0.250000 Ni\n0.671006 0.835503 0.250000 Ni\n0.164497 0.835503 0.250000 Ni\n0.835503 0.671006 0.749999 Ni\n0.328994 0.164497 0.749999 Ni\n0.835503 0.164497 0.749999 Ni\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ga",
"Ni"
],
"chemical_system": "Ga-Ni",
"density": 8.988778665966047,
"density_atomic": 0.08808948037395657,
"volume": 90.81674640420718,
"volume_molar": 6.836390377641994,
"formula_full": "Ga2 Ni6",
"formula_reduced": "GaNi3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.6040654714285713,
"spacegroup": 194
},
{
"id": "jvasp-10204",
"created_at": "2022-09-04T14:38:15.130004Z",
"updated_at": "2022-09-04T14:38:15.130019Z",
"structure_string": "Mg6 P4\n1.0\n6.014290 0.000000 -0.000000\n-0.000000 6.014290 0.000000\n0.000000 -0.000000 6.014290\nMg P\n6 4\ndirect\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.250000 0.250000 0.250000 P\n0.750000 0.250000 0.750000 P\n0.750000 0.750000 0.250000 P\n0.250000 0.750000 0.750000 P\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Mg",
"P"
],
"chemical_system": "Mg-P",
"density": 2.0588147956240515,
"density_atomic": 0.045967078675997926,
"volume": 217.54699859187656,
"volume_molar": 13.100986474358026,
"formula_full": "Mg6 P4",
"formula_reduced": "Mg3P2",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.60403563,
"spacegroup": 224
},
{
"id": "jvasp-7676",
"created_at": "2022-09-04T14:36:58.236356Z",
"updated_at": "2022-09-04T14:36:58.236377Z",
"structure_string": "Ge1 Se1\n1.0\n3.477584 0.000000 2.007784\n1.159195 3.278697 2.007784\n0.000000 0.000000 4.015567\nGe Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Ge\n0.499999 0.500000 0.500000 Se\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ge",
"Se"
],
"chemical_system": "Ge-Se",
"density": 5.4982250212644965,
"density_atomic": 0.04368217021062174,
"volume": 45.785270977990024,
"volume_molar": 13.78626732820994,
"formula_full": "Ge1 Se1",
"formula_reduced": "GeSe",
"formula_anonymous": "AB",
"energy_above_hull": 0.6040196583333334,
"spacegroup": 225
},
{
"id": "jvasp-34429",
"created_at": "2022-09-04T14:38:13.446386Z",
"updated_at": "2022-09-04T14:38:13.446409Z",
"structure_string": "Zr1 Fe1 F6\n1.0\n5.001391 0.000000 2.887554\n1.667130 4.715357 2.887554\n-0.000000 0.000000 5.775109\nZr Fe F\n1 1 6\ndirect\n0.500000 0.500000 0.499999 Zr\n0.000000 0.000000 0.000000 Fe\n0.251484 0.748517 0.748516 F\n0.251484 0.748517 0.251483 F\n0.748516 0.251484 0.251483 F\n0.748516 0.748517 0.251483 F\n0.251484 0.251484 0.748516 F\n0.748516 0.251484 0.748516 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Zr",
"Fe",
"F"
],
"chemical_system": "F-Fe-Zr",
"density": 3.182899253272432,
"density_atomic": 0.05873871134309022,
"volume": 136.19638254016763,
"volume_molar": 10.252422333246198,
"formula_full": "Zr1 Fe1 F6",
"formula_reduced": "ZrFeF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.603887711875,
"spacegroup": 225
},
{
"id": "jvasp-38894",
"created_at": "2022-09-04T14:38:11.274648Z",
"updated_at": "2022-09-04T14:38:11.274675Z",
"structure_string": "Lu4 Ni4 Sn4\n1.0\n4.414918 -0.000000 0.000000\n0.000000 6.943321 0.000000\n0.000000 0.000000 7.602927\nLu Ni Sn\n4 4 4\ndirect\n0.250000 0.487368 0.201118 Lu\n0.250000 0.987368 0.298882 Lu\n0.750000 0.012632 0.701118 Lu\n0.750000 0.512632 0.798882 Lu\n0.750000 0.792223 0.085151 Ni\n0.750000 0.292223 0.414849 Ni\n0.250000 0.707776 0.585151 Ni\n0.250000 0.207776 0.914849 Ni\n0.750000 0.190059 0.086756 Sn\n0.750000 0.690059 0.413244 Sn\n0.250000 0.309941 0.586756 Sn\n0.250000 0.809940 0.913245 Sn\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Lu",
"Ni",
"Sn"
],
"chemical_system": "Lu-Ni-Sn",
"density": 10.042406621531708,
"density_atomic": 0.0514885355849295,
"volume": 233.06159057886188,
"volume_molar": 11.696080868461635,
"formula_full": "Lu4 Ni4 Sn4",
"formula_reduced": "LuNiSn",
"formula_anonymous": "ABC",
"energy_above_hull": 0.6038132833333333,
"spacegroup": 62
}
]
}