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=-volume_molar&page=458",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=456",
"results": [
{
"id": "jvasp-29341",
"created_at": "2022-09-04T14:37:50.581511Z",
"updated_at": "2022-09-04T14:37:50.581529Z",
"structure_string": "Bi4 Au4 Br24\n1.0\n7.266249 -0.009382 -0.544875\n-3.839038 9.580459 -2.790226\n-0.006312 -0.099484 14.532175\nBi Au Br\n4 4 24\ndirect\n0.590789 0.921489 0.620164 Bi\n0.409212 0.078512 0.379837 Bi\n0.977141 0.312427 0.869749 Bi\n0.022859 0.687573 0.130252 Bi\n0.299778 0.635096 0.765486 Au\n0.700223 0.364905 0.234515 Au\n0.500000 0.500000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n0.243941 0.895389 0.030530 Br\n0.734286 0.800164 0.025059 Br\n0.265714 0.199836 0.974941 Br\n0.590053 0.184694 0.738838 Br\n0.759700 0.046573 0.482920 Br\n0.993929 0.057903 0.723948 Br\n0.006071 0.942097 0.276053 Br\n0.756060 0.104611 0.969470 Br\n0.240300 0.953428 0.517080 Br\n0.409948 0.815306 0.261163 Br\n0.214415 0.285822 0.489717 Br\n0.654887 0.581828 0.227853 Br\n0.275998 0.627292 0.493156 Br\n0.724002 0.372709 0.506844 Br\n0.727387 0.436857 0.978518 Br\n0.345113 0.418173 0.772148 Br\n0.049503 0.467723 0.218512 Br\n0.950497 0.532278 0.781488 Br\n0.752646 0.154477 0.249506 Br\n0.247355 0.845523 0.750494 Br\n0.350535 0.258176 0.247748 Br\n0.649466 0.741825 0.752252 Br\n0.785586 0.714179 0.510283 Br\n0.272613 0.563144 0.021482 Br\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Bi",
"Au",
"Br"
],
"chemical_system": "Au-Bi-Br",
"density": 5.829119217938623,
"density_atomic": 0.0317189315471026,
"volume": 1008.8612207028478,
"volume_molar": 18.985950869931177,
"formula_full": "Bi4 Au4 Br24",
"formula_reduced": "BiAuBr6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0638958124999999,
"spacegroup": 2
},
{
"id": "jvasp-108896",
"created_at": "2022-09-04T14:38:20.338286Z",
"updated_at": "2022-09-04T14:38:20.338302Z",
"structure_string": "Tl3 Bi1\n1.0\n5.014692 -0.000000 0.000000\n0.000000 5.014692 0.000000\n0.000000 0.000000 5.014692\nTl Bi\n3 1\ndirect\n-0.000000 0.500000 0.500000 Tl\n0.500000 0.000000 0.500000 Tl\n0.500000 0.500000 -0.000000 Tl\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Tl",
"Bi"
],
"chemical_system": "Bi-Tl",
"density": 10.825724234726385,
"density_atomic": 0.03171956328236302,
"volume": 126.10514099429967,
"volume_molar": 18.985572740682976,
"formula_full": "Tl3 Bi1",
"formula_reduced": "Tl3Bi",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-92280",
"created_at": "2022-09-04T14:36:06.587741Z",
"updated_at": "2022-09-04T14:36:06.587770Z",
"structure_string": "In2 Te3\n1.0\n-2.171997 -3.762009 0.000000\n2.171997 -3.762009 0.000000\n0.000000 -2.508005 9.645483\nIn Te\n2 3\ndirect\n0.400859 0.400859 0.797425 In\n0.599142 0.599142 0.202575 In\n0.786804 0.786804 0.639589 Te\n0.213197 0.213197 0.360411 Te\n0.000000 0.000000 0.000000 Te\n",
"nsites": 5,
"nelements": 2,
"elements": [
"In",
"Te"
],
"chemical_system": "In-Te",
"density": 6.451738879736063,
"density_atomic": 0.03172027746079766,
"volume": 157.62787718926424,
"volume_molar": 18.985145282674846,
"formula_full": "In2 Te3",
"formula_reduced": "In2Te3",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.3361455533333333,
"spacegroup": 166
},
{
"id": "jvasp-29015",
"created_at": "2022-09-04T14:38:01.152930Z",
"updated_at": "2022-09-04T14:38:01.152963Z",
"structure_string": "Te6 Mo2 W2 Se2\n1.0\n3.507852 -0.000000 -0.000000\n-1.753926 3.037736 -0.000819\n-0.000000 -0.009308 35.501922\nTe Mo W Se\n6 2 2 2\ndirect\n0.333821 0.667647 0.335094 Te\n0.331846 0.663695 0.716994 Te\n0.668399 0.336801 0.028811 Te\n0.668687 0.337376 0.132085 Te\n0.333536 0.667075 0.231329 Te\n0.331573 0.663147 0.613289 Te\n0.335180 0.670361 0.080402 Mo\n0.332786 0.665576 0.474111 Mo\n0.666967 0.333936 0.283218 W\n0.665033 0.330068 0.665184 W\n0.665980 0.331961 0.428587 Se\n0.666182 0.332364 0.519641 Se\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"Se"
],
"chemical_system": "Mo-Se-Te-W",
"density": 6.509843547719648,
"density_atomic": 0.03172036101908997,
"volume": 378.30590871201474,
"volume_molar": 18.985095271695524,
"formula_full": "Te6 Mo2 W2 Se2",
"formula_reduced": "Te3MoWSe",
"formula_anonymous": "ABCD3",
"energy_above_hull": 3.309727094444445,
"spacegroup": 156
},
{
"id": "jvasp-33818",
"created_at": "2022-09-04T14:38:02.090587Z",
"updated_at": "2022-09-04T14:38:02.090639Z",
"structure_string": "Br2 Cl2\n1.0\n1.975060 -3.420903 0.000000\n1.975060 3.420903 -0.000000\n0.000000 0.000000 9.330250\nBr Cl\n2 2\ndirect\n0.000000 0.000000 0.070341 Br\n0.333334 0.666668 0.570341 Br\n0.000000 0.000000 0.304659 Cl\n0.333334 0.666668 0.804660 Cl\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Br",
"Cl"
],
"chemical_system": "Br-Cl",
"density": 3.038636264257711,
"density_atomic": 0.03172602496272314,
"volume": 126.07945699783839,
"volume_molar": 18.981705924633747,
"formula_full": "Br2 Cl2",
"formula_reduced": "BrCl",
"formula_anonymous": "AB",
"energy_above_hull": 0.05522,
"spacegroup": 186
},
{
"id": "jvasp-109308",
"created_at": "2022-09-04T14:38:20.158844Z",
"updated_at": "2022-09-04T14:38:20.158866Z",
"structure_string": "Tb3 Pm1\n1.0\n4.575455 -0.006230 -4.091554\n-0.919417 4.482132 -4.091554\n0.005089 0.006230 6.138043\nTb Pm\n3 1\ndirect\n0.750001 0.250000 0.500001 Tb\n0.250000 0.750000 0.500000 Tb\n0.500000 0.500000 0.000001 Tb\n0.000000 0.000000 0.000000 Pm\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Tb",
"Pm"
],
"chemical_system": "Pm-Tb",
"density": 8.189367980546638,
"density_atomic": 0.03172687447921603,
"volume": 126.07608110343051,
"volume_molar": 18.981197671850868,
"formula_full": "Tb3 Pm1",
"formula_reduced": "Tb3Pm",
"formula_anonymous": "AB3",
"energy_above_hull": 1.4685340937499998,
"spacegroup": 139
},
{
"id": "jvasp-120819",
"created_at": "2022-09-04T14:38:54.336902Z",
"updated_at": "2022-09-04T14:38:54.336925Z",
"structure_string": "Ba1 B1 F1\n1.0\n3.669939 0.000000 0.000000\n0.000000 3.669939 -0.000000\n-0.000000 -0.000000 7.020014\nBa B F\n1 1 1\ndirect\n0.000000 0.000000 0.615733 Ba\n0.000000 0.000000 0.213903 B\n0.000000 0.000000 0.023880 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"B",
"F"
],
"chemical_system": "B-Ba-F",
"density": 2.9353810060946683,
"density_atomic": 0.03172967217899553,
"volume": 94.5487234496531,
"volume_molar": 18.979524043070793,
"formula_full": "Ba1 B1 F1",
"formula_reduced": "BaBF",
"formula_anonymous": "ABC",
"energy_above_hull": 1.069882945277778,
"spacegroup": 99
},
{
"id": "jvasp-106409",
"created_at": "2022-09-04T14:36:55.815646Z",
"updated_at": "2022-09-04T14:36:55.815671Z",
"structure_string": "K3 In1 Cl6\n1.0\n6.615184 -0.000000 3.819278\n2.205061 6.236855 3.819278\n-0.000000 -0.000000 7.638556\nK In Cl\n3 1 6\ndirect\n0.749999 0.750001 0.750001 K\n0.250000 0.250000 0.250000 K\n0.499999 0.500000 0.500001 K\n0.000000 0.000000 0.000000 In\n0.766632 0.233367 0.233368 Cl\n0.233367 0.233367 0.766633 Cl\n0.233367 0.766633 0.766633 Cl\n0.233367 0.766633 0.233368 Cl\n0.766632 0.233367 0.766634 Cl\n0.766632 0.766633 0.233368 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"In",
"Cl"
],
"chemical_system": "Cl-In-K",
"density": 2.3438251090914752,
"density_atomic": 0.031730809906975896,
"volume": 315.1511111540061,
"volume_molar": 18.97884352039831,
"formula_full": "K3 In1 Cl6",
"formula_reduced": "K3InCl6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-36087",
"created_at": "2022-09-04T14:37:29.345200Z",
"updated_at": "2022-09-04T14:37:29.345221Z",
"structure_string": "Ce1 Sm3\n1.0\n5.014001 -0.000000 -0.000000\n0.000000 5.014001 -0.000000\n0.000000 0.000000 5.014001\nCe Sm\n1 3\ndirect\n0.000000 0.000000 0.000000 Ce\n0.000000 0.500000 0.500000 Sm\n0.500000 0.000000 0.500000 Sm\n0.500000 0.500000 0.000000 Sm\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ce",
"Sm"
],
"chemical_system": "Ce-Sm",
"density": 7.7880249779955335,
"density_atomic": 0.03173267929829894,
"volume": 126.05301816460307,
"volume_molar": 18.977725465251915,
"formula_full": "Ce1 Sm3",
"formula_reduced": "CeSm3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.70811053125,
"spacegroup": 221
},
{
"id": "jvasp-76241",
"created_at": "2022-09-04T14:37:00.032701Z",
"updated_at": "2022-09-04T14:37:00.032730Z",
"structure_string": "Yb10 Pb6\n1.0\n9.309505 -0.000000 0.000000\n-4.654752 8.062267 -0.000000\n-0.000000 -0.000000 6.717387\nYb Pb\n10 6\ndirect\n0.000000 0.727432 0.750000 Yb\n0.727432 0.727432 0.250000 Yb\n0.272568 0.272568 0.750000 Yb\n0.727432 0.000000 0.750000 Yb\n0.333333 0.666667 0.500000 Yb\n0.272568 0.000000 0.250000 Yb\n0.000000 0.272568 0.250000 Yb\n0.666667 0.333333 0.500000 Yb\n0.333333 0.666667 0.000000 Yb\n0.666667 0.333333 0.000000 Yb\n0.383164 0.383164 0.250000 Pb\n0.000000 0.383164 0.750000 Pb\n0.616836 0.616836 0.750000 Pb\n0.000000 0.616836 0.250000 Pb\n0.616836 0.000000 0.250000 Pb\n0.383164 0.000000 0.750000 Pb\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Yb",
"Pb"
],
"chemical_system": "Pb-Yb",
"density": 9.793716085064965,
"density_atomic": 0.031734805944643146,
"volume": 504.17828386629253,
"volume_molar": 18.976453709862817,
"formula_full": "Yb10 Pb6",
"formula_reduced": "Yb5Pb3",
"formula_anonymous": "A3B5",
"energy_above_hull": 0.0374074999999999,
"spacegroup": 193
},
{
"id": "jvasp-64922",
"created_at": "2022-09-04T14:36:09.215619Z",
"updated_at": "2022-09-04T14:36:09.215645Z",
"structure_string": "Be1 Cu1 Bi4\n1.0\n-0.000000 4.555376 4.555376\n4.555376 0.000000 4.555376\n4.555376 4.555376 0.000000\nBe Cu Bi\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Cu\n0.624949 0.125155 0.624949 Bi\n0.125155 0.624949 0.624949 Bi\n0.624949 0.624949 0.624949 Bi\n0.624949 0.624949 0.125155 Bi\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Be",
"Cu",
"Bi"
],
"chemical_system": "Be-Bi-Cu",
"density": 7.979242797750916,
"density_atomic": 0.03173573540432054,
"volume": 189.0613191583124,
"volume_molar": 18.975897937377365,
"formula_full": "Be1 Cu1 Bi4",
"formula_reduced": "BeCuBi4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.0852722916666666,
"spacegroup": 216
},
{
"id": "jvasp-65533",
"created_at": "2022-09-04T14:35:48.360366Z",
"updated_at": "2022-09-04T14:35:48.360395Z",
"structure_string": "Ba1 Sn2 Se1\n1.0\n4.244714 0.000000 -0.000000\n0.000000 4.244714 0.000000\n-0.000000 0.000000 6.995326\nBa Sn Se\n1 2 1\ndirect\n0.499999 0.499999 0.000000 Ba\n0.000000 0.000000 0.697339 Sn\n0.000000 0.000000 0.302662 Sn\n0.499999 0.499999 0.500000 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Sn",
"Se"
],
"chemical_system": "Ba-Se-Sn",
"density": 5.977502292313664,
"density_atomic": 0.03173621761178512,
"volume": 126.03896434446605,
"volume_molar": 18.97560961317489,
"formula_full": "Ba1 Sn2 Se1",
"formula_reduced": "BaSn2Se",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.3862356841666667,
"spacegroup": 123
}
]
}