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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=4480",
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"results": [
{
"id": "jvasp-69256",
"created_at": "2022-09-04T14:36:03.108578Z",
"updated_at": "2022-09-04T14:36:03.108605Z",
"structure_string": "Ba2 Cd1 Sb1\n1.0\n0.000000 4.208159 4.208159\n4.208159 0.000000 4.208159\n4.208159 4.208159 -0.000000\nBa Cd 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 Cd\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 4,
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"elements": [
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"Cd",
"Sb"
],
"chemical_system": "Ba-Cd-Sb",
"density": 5.6690608798690665,
"density_atomic": 0.02683821165027582,
"volume": 149.04122719215874,
"volume_molar": 22.438681229857988,
"formula_full": "Ba2 Cd1 Sb1",
"formula_reduced": "Ba2CdSb",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-55234",
"created_at": "2022-09-04T14:37:04.478978Z",
"updated_at": "2022-09-04T14:37:04.479012Z",
"structure_string": "Ba8 Cd4 S12\n1.0\n4.373406 0.000000 0.000000\n-0.000000 8.994090 0.000000\n0.000000 0.000000 17.378029\nBa Cd S\n8 4 12\ndirect\n0.250000 0.263544 0.541818 Ba\n0.750001 0.236456 0.041818 Ba\n0.250000 0.763544 0.958182 Ba\n0.750001 0.736456 0.458182 Ba\n0.250000 0.922292 0.214812 Ba\n0.750001 0.077708 0.785188 Ba\n0.250000 0.422292 0.285188 Ba\n0.750001 0.577708 0.714812 Ba\n0.250000 0.377731 0.868525 Cd\n0.250000 0.877731 0.631475 Cd\n0.750001 0.622269 0.131475 Cd\n0.750001 0.122269 0.368525 Cd\n0.250000 0.314529 0.724318 S\n0.250000 0.484299 0.095953 S\n0.750001 0.515701 0.904047 S\n0.250000 0.984299 0.404047 S\n0.750001 0.015701 0.595953 S\n0.250000 0.618747 0.572204 S\n0.750001 0.381253 0.427796 S\n0.250000 0.118747 0.927796 S\n0.750001 0.685471 0.275682 S\n0.250000 0.814529 0.775682 S\n0.750001 0.185471 0.224318 S\n0.750001 0.881253 0.072204 S\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ba",
"Cd",
"S"
],
"chemical_system": "Ba-Cd-S",
"density": 4.695830315613405,
"density_atomic": 0.03511023195233011,
"volume": 683.5614197190522,
"volume_molar": 17.152096198556553,
"formula_full": "Ba8 Cd4 S12",
"formula_reduced": "Ba2CdS3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.3150619483333332,
"spacegroup": 62
},
{
"id": "jvasp-34261",
"created_at": "2022-09-04T14:37:01.223033Z",
"updated_at": "2022-09-04T14:37:01.223051Z",
"structure_string": "Ba2 Cd1 Re1 O6\n1.0\n5.155694 -0.000013 2.976800\n1.718591 4.860969 2.976735\n0.000124 0.000007 5.953387\nBa Cd Re O\n2 1 1 6\ndirect\n0.749995 0.750004 0.749997 Ba\n0.250003 0.249997 0.250003 Ba\n0.000000 -0.000000 0.000000 Cd\n0.499999 0.500001 0.500000 Re\n0.269579 0.730421 0.269579 O\n0.730427 0.730412 0.269571 O\n0.269570 0.269590 0.730429 O\n0.730420 0.269580 0.730422 O\n0.269571 0.730417 0.730427 O\n0.730426 0.269586 0.269573 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Cd",
"Re",
"O"
],
"chemical_system": "Ba-Cd-O-Re",
"density": 7.448697922628562,
"density_atomic": 0.06702409285167275,
"volume": 149.2000797702766,
"volume_molar": 8.985038817798342,
"formula_full": "Ba2 Cd1 Re1 O6",
"formula_reduced": "Ba2CdReO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.049834069,
"spacegroup": 225
},
{
"id": "jvasp-69368",
"created_at": "2022-09-04T14:35:43.634443Z",
"updated_at": "2022-09-04T14:35:43.634472Z",
"structure_string": "Ba2 Cd1 Pb1\n1.0\n-0.000000 4.248545 4.248545\n4.248545 0.000000 4.248545\n4.248545 4.248545 -0.000000\nBa Cd Pb\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750001 0.750001 0.750001 Ba\n0.000000 0.000000 0.000000 Cd\n0.500001 0.500001 0.500001 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Cd",
"Pb"
],
"chemical_system": "Ba-Cd-Pb",
"density": 6.4339634091569,
"density_atomic": 0.026080104537889455,
"volume": 153.37361835297696,
"volume_molar": 23.090937964803665,
"formula_full": "Ba2 Cd1 Pb1",
"formula_reduced": "Ba2CdPb",
"formula_anonymous": "ABC2",
"energy_above_hull": 7.500000000000562e-06,
"spacegroup": 225
},
{
"id": "jvasp-40427",
"created_at": "2022-09-04T14:37:51.706989Z",
"updated_at": "2022-09-04T14:37:51.707012Z",
"structure_string": "Ba2 Cd1 Pb1\n1.0\n0.000000 4.248546 4.248546\n4.248546 0.000000 4.248546\n4.248546 4.248546 0.000000\nBa Cd Pb\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.250000 0.250000 0.250000 Cd\n0.750001 0.750001 0.750001 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Cd",
"Pb"
],
"chemical_system": "Ba-Cd-Pb",
"density": 6.433958865982437,
"density_atomic": 0.026080086122107868,
"volume": 153.37372665381017,
"volume_molar": 23.090954269875212,
"formula_full": "Ba2 Cd1 Pb1",
"formula_reduced": "Ba2CdPb",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-104780",
"created_at": "2022-09-04T14:36:30.811022Z",
"updated_at": "2022-09-04T14:36:30.811046Z",
"structure_string": "Ba2 Cd1 N2\n1.0\n4.020899 0.000000 -1.173744\n-0.342557 4.006289 -1.173499\n0.021261 0.022757 7.546910\nBa Cd N\n2 1 2\ndirect\n0.840042 0.840043 0.180084 Ba\n0.159957 0.159958 0.819917 Ba\n0.500000 0.500000 0.500000 Cd\n0.350559 0.350559 0.201118 N\n0.649440 0.649441 0.798882 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Cd",
"N"
],
"chemical_system": "Ba-Cd-N",
"density": 5.65941942671283,
"density_atomic": 0.041054678368377055,
"volume": 121.78879968650104,
"volume_molar": 14.668585894071065,
"formula_full": "Ba2 Cd1 N2",
"formula_reduced": "Ba2CdN2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.597227638,
"spacegroup": 139
},
{
"id": "jvasp-105119",
"created_at": "2022-09-04T14:36:43.772119Z",
"updated_at": "2022-09-04T14:36:43.772145Z",
"structure_string": "Ba2 Cd1 In1\n1.0\n5.185894 -0.000000 2.994077\n1.728631 4.889308 2.994077\n-0.000000 -0.000000 5.988155\nBa Cd In\n2 1 1\ndirect\n0.749999 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.499999 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Cd",
"In"
],
"chemical_system": "Ba-Cd-In",
"density": 5.48892779284213,
"density_atomic": 0.026344861891233265,
"volume": 151.83226302397406,
"volume_molar": 22.85888149599288,
"formula_full": "Ba2 Cd1 In1",
"formula_reduced": "Ba2CdIn",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-107894",
"created_at": "2022-09-04T14:36:02.230992Z",
"updated_at": "2022-09-04T14:36:02.231027Z",
"structure_string": "Ba2 Cd1 Hg1\n1.0\n5.136490 -0.000000 2.965554\n1.712163 4.842730 2.965554\n-0.000000 -0.000000 5.931108\nBa Cd Hg\n2 1 1\ndirect\n0.749999 0.750000 0.749999 Ba\n0.250000 0.250000 0.250000 Ba\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Cd",
"Hg"
],
"chemical_system": "Ba-Cd-Hg",
"density": 6.614225506834155,
"density_atomic": 0.02711236833468797,
"volume": 147.53414200567423,
"volume_molar": 22.211784251599973,
"formula_full": "Ba2 Cd1 Hg1",
"formula_reduced": "Ba2CdHg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-69363",
"created_at": "2022-09-04T14:36:17.401143Z",
"updated_at": "2022-09-04T14:36:17.401164Z",
"structure_string": "Ba2 Cd1 Cl1\n1.0\n-0.000000 4.161943 4.161943\n4.161943 0.000000 4.161943\n4.161943 4.161943 -0.000000\nBa Cd Cl\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Cd",
"Cl"
],
"chemical_system": "Ba-Cd-Cl",
"density": 4.866042896265823,
"density_atomic": 0.02774224556173957,
"volume": 144.18443492968566,
"volume_molar": 21.707474063690693,
"formula_full": "Ba2 Cd1 Cl1",
"formula_reduced": "Ba2CdCl",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-69125",
"created_at": "2022-09-04T14:35:52.205737Z",
"updated_at": "2022-09-04T14:35:52.205757Z",
"structure_string": "Ba2 Cd1 Br1\n1.0\n0.000000 4.215058 4.215058\n4.215058 0.000000 4.215058\n4.215058 4.215058 0.000000\nBa Cd Br\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Br\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Cd",
"Br"
],
"chemical_system": "Ba-Br-Cd",
"density": 5.177218417998285,
"density_atomic": 0.026706644825866054,
"volume": 149.77545948137595,
"volume_molar": 22.549222484763064,
"formula_full": "Ba2 Cd1 Br1",
"formula_reduced": "Ba2CdBr",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-62814",
"created_at": "2022-09-04T14:36:13.863080Z",
"updated_at": "2022-09-04T14:36:13.863113Z",
"structure_string": "Ba2 Cd1 B6 O12\n1.0\n6.095456 -3.607453 -0.043977\n6.095456 3.607453 -0.043977\n4.002946 0.000000 5.843513\nBa Cd B O\n2 1 6 12\ndirect\n0.789155 0.789155 0.789152 Ba\n0.210847 0.210847 0.210846 Ba\n0.000000 0.000000 0.000000 Cd\n0.634080 0.757531 0.367597 B\n0.367599 0.634079 0.757529 B\n0.757530 0.367599 0.634078 B\n0.365922 0.242471 0.632401 B\n0.632402 0.365922 0.242470 B\n0.242471 0.632402 0.365921 B\n0.576271 0.200913 0.456383 O\n0.799089 0.543617 0.423729 O\n0.543617 0.423731 0.799087 O\n0.423731 0.799089 0.543616 O\n0.085527 0.837500 0.336132 O\n0.162502 0.663868 0.914473 O\n0.336134 0.085526 0.837499 O\n0.914475 0.162502 0.663866 O\n0.456384 0.576271 0.200911 O\n0.663868 0.914475 0.162500 O\n0.837500 0.336134 0.085525 O\n0.200913 0.456384 0.576270 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Ba",
"Cd",
"B",
"O"
],
"chemical_system": "B-Ba-Cd-O",
"density": 4.140297754194937,
"density_atomic": 0.08131436876948722,
"volume": 258.2569393059119,
"volume_molar": 7.4059982892713245,
"formula_full": "Ba2 Cd1 B6 O12",
"formula_reduced": "Ba2Cd(BO2)6",
"formula_anonymous": "AB2C6D12",
"energy_above_hull": 3.0960442471428573,
"spacegroup": 148
},
{
"id": "jvasp-69091",
"created_at": "2022-09-04T14:36:01.702753Z",
"updated_at": "2022-09-04T14:36:01.702774Z",
"structure_string": "Ba2 Cd1 Bi1\n1.0\n-0.000000 4.260169 4.260169\n4.260169 0.000000 4.260169\n4.260169 4.260169 0.000000\nBa Cd Bi\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 4,
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"elements": [
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"Cd",
"Bi"
],
"chemical_system": "Ba-Bi-Cd",
"density": 6.400559792387331,
"density_atomic": 0.025867205434937163,
"volume": 154.63595439642887,
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"formula_full": "Ba2 Cd1 Bi1",
"formula_reduced": "Ba2CdBi",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
}
]
}