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=206",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=204",
"results": [
{
"id": "jvasp-102425",
"created_at": "2022-09-04T14:36:49.689018Z",
"updated_at": "2022-09-04T14:36:49.689043Z",
"structure_string": "Rb3 Pr1 Cl6\n1.0\n7.065990 -0.000000 4.079551\n2.355330 6.661879 4.079551\n-0.000000 -0.000000 8.159102\nRb Pr Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Pr\n0.763093 0.236907 0.236906 Cl\n0.236906 0.236906 0.763092 Cl\n0.236906 0.763093 0.763092 Cl\n0.236906 0.763094 0.236906 Cl\n0.763093 0.236907 0.763093 Cl\n0.763094 0.763094 0.236906 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"Pr",
"Cl"
],
"chemical_system": "Cl-Pr-Rb",
"density": 2.6374697856287086,
"density_atomic": 0.026036816287342394,
"volume": 384.07153507709876,
"volume_molar": 23.129328461435666,
"formula_full": "Rb3 Pr1 Cl6",
"formula_reduced": "Rb3PrCl6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-114037",
"created_at": "2022-09-04T14:38:49.466120Z",
"updated_at": "2022-09-04T14:38:49.466139Z",
"structure_string": "Ba1 Cd1 Se1\n1.0\n0.000000 3.862119 3.862119\n3.862119 0.000000 3.862119\n3.862119 3.862119 -0.000000\nBa Cd Se\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Cd\n0.500001 0.500001 0.500001 Se\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Cd",
"Se"
],
"chemical_system": "Ba-Cd-Se",
"density": 4.737390773127013,
"density_atomic": 0.026038400672430493,
"volume": 115.21444952555805,
"volume_molar": 23.12792108762753,
"formula_full": "Ba1 Cd1 Se1",
"formula_reduced": "BaCdSe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0222748894444443,
"spacegroup": 216
},
{
"id": "jvasp-64316",
"created_at": "2022-09-04T14:35:47.562160Z",
"updated_at": "2022-09-04T14:35:47.562183Z",
"structure_string": "Ba4 Nb1 Fe1\n1.0\n-0.000000 4.865909 4.865909\n4.865909 -0.000000 4.865909\n4.865909 4.865909 -0.000000\nBa Nb Fe\n4 1 1\ndirect\n0.125941 0.624686 0.624686 Ba\n0.624686 0.624686 0.624686 Ba\n0.624686 0.125941 0.624686 Ba\n0.624686 0.624686 0.125941 Ba\n0.000000 0.000000 0.000000 Nb\n0.250000 0.250000 0.250000 Fe\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Nb",
"Fe"
],
"chemical_system": "Ba-Fe-Nb",
"density": 5.030596923836807,
"density_atomic": 0.02603930008874392,
"volume": 230.4209398697946,
"volume_molar": 23.12712223245665,
"formula_full": "Ba4 Nb1 Fe1",
"formula_reduced": "Ba4NbFe",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.7312931299999998,
"spacegroup": 216
},
{
"id": "jvasp-65215",
"created_at": "2022-09-04T14:36:18.144588Z",
"updated_at": "2022-09-04T14:36:18.144613Z",
"structure_string": "K4 Ta1 Be1\n1.0\n0.000000 4.865672 4.865672\n4.865672 0.000000 4.865672\n4.865672 4.865672 -0.000000\nK Ta Be\n4 1 1\ndirect\n0.125528 0.624824 0.624824 K\n0.624824 0.624824 0.624824 K\n0.624824 0.125528 0.624824 K\n0.624824 0.624824 0.125528 K\n0.250000 0.250000 0.250000 Ta\n0.000000 0.000000 0.000000 Be\n",
"nsites": 6,
"nelements": 3,
"elements": [
"K",
"Ta",
"Be"
],
"chemical_system": "Be-K-Ta",
"density": 2.4963754100490374,
"density_atomic": 0.02604310528649784,
"volume": 230.38727271554387,
"volume_molar": 23.12374309342521,
"formula_full": "K4 Ta1 Be1",
"formula_reduced": "K4TaBe",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.1424245500000003,
"spacegroup": 216
},
{
"id": "jvasp-66077",
"created_at": "2022-09-04T14:36:08.168711Z",
"updated_at": "2022-09-04T14:36:08.168745Z",
"structure_string": "Ba4 Mn1 Si1\n1.0\n-0.000000 4.865662 4.865662\n4.865662 -0.000000 4.865662\n4.865662 4.865662 0.000000\nBa Mn Si\n4 1 1\ndirect\n0.123589 0.625470 0.625470 Ba\n0.625470 0.625470 0.625470 Ba\n0.625470 0.123589 0.625470 Ba\n0.625470 0.625470 0.123589 Ba\n0.250000 0.250000 0.250000 Mn\n0.000000 0.000000 0.000000 Si\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Mn",
"Si"
],
"chemical_system": "Ba-Mn-Si",
"density": 4.557620285015723,
"density_atomic": 0.02604326585966636,
"volume": 230.38585223262265,
"volume_molar": 23.1236005209569,
"formula_full": "Ba4 Mn1 Si1",
"formula_reduced": "Ba4MnSi",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.3775432868965514,
"spacegroup": 216
},
{
"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-66453",
"created_at": "2022-09-04T14:35:48.124275Z",
"updated_at": "2022-09-04T14:35:48.124300Z",
"structure_string": "Ba4 Hf1 Zr1\n1.0\n-0.000000 4.865649 4.865649\n4.865649 -0.000000 4.865649\n4.865649 4.865649 0.000000\nBa Hf Zr\n4 1 1\ndirect\n0.125330 0.624890 0.624890 Ba\n0.624890 0.624890 0.624890 Ba\n0.624890 0.125330 0.624890 Ba\n0.624890 0.624890 0.125330 Ba\n0.250000 0.250000 0.250000 Hf\n0.000000 0.000000 0.000000 Zr\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Hf",
"Zr"
],
"chemical_system": "Ba-Hf-Zr",
"density": 5.90326582690883,
"density_atomic": 0.026043474606758932,
"volume": 230.38400561355397,
"volume_molar": 23.123415177624203,
"formula_full": "Ba4 Hf1 Zr1",
"formula_reduced": "Ba4HfZr",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.8156118966666663,
"spacegroup": 216
},
{
"id": "jvasp-17497",
"created_at": "2022-09-04T14:38:03.638971Z",
"updated_at": "2022-09-04T14:38:03.638997Z",
"structure_string": "Sm3 Pb1 C1\n1.0\n5.768857 0.000000 0.000000\n0.000000 5.768857 0.000000\n-0.000000 -0.000000 5.768857\nSm Pb C\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Sm\n0.500000 0.500000 0.000000 Sm\n0.500000 0.000000 0.500000 Sm\n0.500000 0.500000 0.500000 Pb\n0.000000 0.000000 0.000000 C\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sm",
"Pb",
"C"
],
"chemical_system": "C-Pb-Sm",
"density": 5.797529540513403,
"density_atomic": 0.026043580020799338,
"volume": 191.9858942590389,
"volume_molar": 23.12332158324816,
"formula_full": "Sm3 Pb1 C1",
"formula_reduced": "Sm3PbC",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.628893489,
"spacegroup": 221
},
{
"id": "jvasp-110725",
"created_at": "2022-09-04T14:38:48.225742Z",
"updated_at": "2022-09-04T14:38:48.225768Z",
"structure_string": "Cu1 I2\n1.0\n5.233325 -0.000000 0.000000\n0.000000 5.233325 0.000000\n0.000000 -0.000000 4.204480\nCu I\n1 2\ndirect\n0.000000 0.000000 0.000000 Cu\n-0.000000 0.500000 -0.000000 I\n0.500000 0.000000 -0.000000 I\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Cu",
"I"
],
"chemical_system": "Cu-I",
"density": 4.576428243962742,
"density_atomic": 0.026052748767081454,
"volume": 115.1509971873142,
"volume_molar": 23.115183790545675,
"formula_full": "Cu1 I2",
"formula_reduced": "CuI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0753366666666666,
"spacegroup": 123
},
{
"id": "jvasp-97915",
"created_at": "2022-09-04T14:35:41.052566Z",
"updated_at": "2022-09-04T14:35:41.052599Z",
"structure_string": "Ba14 Na14 Li1 N6\n1.0\n10.725912 0.000000 6.192608\n3.575304 10.112487 6.192608\n0.000000 0.000000 12.385216\nBa Na Li N\n14 14 1 6\ndirect\n0.315446 0.894851 0.894852 Ba\n0.105149 0.684554 0.105149 Ba\n0.105149 0.105149 0.684554 Ba\n0.684553 0.105149 0.105149 Ba\n0.105149 0.105149 0.105149 Ba\n0.706876 0.293124 0.293124 Ba\n0.894851 0.894851 0.315447 Ba\n0.706876 0.293124 0.706877 Ba\n0.894851 0.315447 0.894852 Ba\n0.293123 0.293124 0.706877 Ba\n0.293123 0.706877 0.293124 Ba\n0.293123 0.706877 0.706877 Ba\n0.894851 0.894851 0.894852 Ba\n0.706876 0.706877 0.293124 Ba\n-0.000000 0.500000 0.500000 Na\n-0.000000 -0.000000 0.500000 Na\n0.500000 -0.000000 0.000000 Na\n-0.000000 0.500000 0.000000 Na\n0.500000 0.500000 0.000000 Na\n0.328950 0.328951 0.328951 Na\n0.013148 0.328951 0.328951 Na\n0.328951 0.013148 0.328951 Na\n0.986852 0.671050 0.671050 Na\n0.671049 0.671050 0.671050 Na\n0.500000 -0.000000 0.500000 Na\n0.328950 0.328951 0.013148 Na\n0.671049 0.986852 0.671050 Na\n0.671049 0.671050 0.986853 Na\n0.000000 0.000000 0.000000 Li\n0.149745 0.149745 0.850255 N\n0.850254 0.149745 0.149746 N\n0.850254 0.850255 0.149746 N\n0.850254 0.149745 0.850255 N\n0.149745 0.850255 0.850255 N\n0.149745 0.850255 0.149746 N\n",
"nsites": 35,
"nelements": 4,
"elements": [
"Ba",
"Na",
"Li",
"N"
],
"chemical_system": "Ba-Li-N-Na",
"density": 2.886805686751919,
"density_atomic": 0.026053870692881943,
"volume": 1343.3704501175016,
"volume_molar": 23.114188409806154,
"formula_full": "Ba14 Na14 Li1 N6",
"formula_reduced": "Ba14Na14LiN6",
"formula_anonymous": "AB6C14D14",
"energy_above_hull": 0.6668185451428571,
"spacegroup": 225
},
{
"id": "jvasp-69297",
"created_at": "2022-09-04T14:36:17.050737Z",
"updated_at": "2022-09-04T14:36:17.050758Z",
"structure_string": "Ba2 Na1 Sb1\n1.0\n0.000000 4.249678 4.249678\n4.249678 -0.000000 4.249678\n4.249678 4.249678 0.000000\nBa Na Sb\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Na",
"Sb"
],
"chemical_system": "Ba-Na-Sb",
"density": 4.537152295981782,
"density_atomic": 0.026059250571170114,
"volume": 153.49635589387526,
"volume_molar": 23.10941653349931,
"formula_full": "Ba2 Na1 Sb1",
"formula_reduced": "Ba2NaSb",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.00153550125,
"spacegroup": 225
},
{
"id": "jvasp-77542",
"created_at": "2022-09-04T14:37:08.511079Z",
"updated_at": "2022-09-04T14:37:08.511103Z",
"structure_string": "Ba2 Ag1 Au1\n1.0\n-12.858817 3.958531 -0.959787\n-10.127132 2.215196 2.532407\n-8.752488 6.103278 0.151453\nBa Ag Au\n2 1 1\ndirect\n0.767601 0.985922 0.985924 Ba\n0.232400 0.014077 0.014077 Ba\n0.000000 0.000000 0.000000 Ag\n0.500001 -0.000000 -0.000000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ag",
"Au"
],
"chemical_system": "Ag-Au-Ba",
"density": 6.269751148820474,
"density_atomic": 0.02606250611315418,
"volume": 153.4771822261994,
"volume_molar": 23.106529870358575,
"formula_full": "Ba2 Ag1 Au1",
"formula_reduced": "Ba2AgAu",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.00841,
"spacegroup": 166
}
]
}