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=-chemical_system&page=3810",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=3808",
"results": [
{
"id": "jvasp-66169",
"created_at": "2022-09-04T14:35:49.107580Z",
"updated_at": "2022-09-04T14:35:49.107609Z",
"structure_string": "Ba4 In1 Re1\n1.0\n0.000000 4.790918 4.790918\n4.790918 -0.000000 4.790918\n4.790918 4.790918 -0.000000\nBa In Re\n4 1 1\ndirect\n0.122574 0.625809 0.625809 Ba\n0.625809 0.625809 0.625809 Ba\n0.625809 0.122574 0.625809 Ba\n0.625809 0.625809 0.122574 Ba\n0.250000 0.250000 0.250000 In\n0.000000 0.000000 0.000000 Re\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"In",
"Re"
],
"chemical_system": "Ba-In-Re",
"density": 6.420249747911742,
"density_atomic": 0.027281298768581506,
"volume": 219.93087832423495,
"volume_molar": 22.074245112316262,
"formula_full": "Ba4 In1 Re1",
"formula_reduced": "Ba4InRe",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.201021975,
"spacegroup": 216
},
{
"id": "jvasp-17937",
"created_at": "2022-09-04T14:37:27.318786Z",
"updated_at": "2022-09-04T14:37:27.318814Z",
"structure_string": "Ba2 In4 Pt2\n1.0\n4.538629 0.000000 0.000000\n-2.269314 5.918769 0.000000\n0.000000 0.000000 8.149405\nBa In Pt\n2 4 2\ndirect\n0.946533 0.893063 0.250000 Ba\n0.053469 0.106937 0.750000 Ba\n0.339300 0.678598 0.555622 In\n0.660702 0.321402 0.444379 In\n0.339300 0.678598 0.944379 In\n0.660702 0.321402 0.055622 In\n0.774876 0.549751 0.750000 Pt\n0.225125 0.450249 0.250000 Pt\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ba",
"In",
"Pt"
],
"chemical_system": "Ba-In-Pt",
"density": 8.526479485619213,
"density_atomic": 0.0365433208734472,
"volume": 218.91825397326966,
"volume_molar": 16.47945675450574,
"formula_full": "Ba2 In4 Pt2",
"formula_reduced": "BaIn2Pt",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1794318275,
"spacegroup": 63
},
{
"id": "jvasp-28448",
"created_at": "2022-09-04T14:37:01.643189Z",
"updated_at": "2022-09-04T14:37:01.643213Z",
"structure_string": "Ba2 In4 Pd2\n1.0\n4.580434 0.000000 -0.000000\n-2.290218 5.897327 0.000000\n-0.000000 0.000000 8.145620\nBa In Pd\n2 4 2\ndirect\n0.447958 0.895919 0.250000 Ba\n0.552041 0.104082 0.750000 Ba\n0.161976 0.323953 0.055663 In\n0.838022 0.676047 0.944337 In\n0.838022 0.676047 0.555663 In\n0.161976 0.323953 0.444337 In\n0.723790 0.447583 0.250000 Pd\n0.276208 0.552418 0.750000 Pd\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ba",
"In",
"Pd"
],
"chemical_system": "Ba-In-Pd",
"density": 7.145058113393719,
"density_atomic": 0.036358336241146615,
"volume": 220.03207041543405,
"volume_molar": 16.563301246949692,
"formula_full": "Ba2 In4 Pd2",
"formula_reduced": "BaIn2Pd",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-63943",
"created_at": "2022-09-04T14:36:09.089409Z",
"updated_at": "2022-09-04T14:36:09.089430Z",
"structure_string": "Ba4 In1 Pd1\n1.0\n0.000000 4.917232 4.917232\n4.917232 -0.000000 4.917232\n4.917232 4.917232 -0.000000\nBa In Pd\n4 1 1\ndirect\n0.124212 0.625263 0.625263 Ba\n0.625263 0.625263 0.625263 Ba\n0.625263 0.124212 0.625263 Ba\n0.625263 0.625263 0.124212 Ba\n0.250000 0.250000 0.250000 In\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"In",
"Pd"
],
"chemical_system": "Ba-In-Pd",
"density": 5.38090809489599,
"density_atomic": 0.025232434643968377,
"volume": 237.78918224342868,
"volume_molar": 23.866665444587003,
"formula_full": "Ba4 In1 Pd1",
"formula_reduced": "Ba4InPd",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.1157631241666666,
"spacegroup": 216
},
{
"id": "jvasp-65541",
"created_at": "2022-09-04T14:36:10.644668Z",
"updated_at": "2022-09-04T14:36:10.644703Z",
"structure_string": "Ba1 In1 Pb2\n1.0\n4.220175 0.000000 0.000000\n0.000000 4.220175 0.000000\n-0.000000 -0.000000 7.583368\nBa In Pb\n1 1 2\ndirect\n0.499999 0.499999 0.000000 Ba\n0.499999 0.499999 0.500000 In\n0.000000 0.000000 0.704919 Pb\n0.000000 0.000000 0.295081 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"In",
"Pb"
],
"chemical_system": "Ba-In-Pb",
"density": 8.195123824755543,
"density_atomic": 0.029616718592360612,
"volume": 135.05885155797668,
"volume_molar": 20.333585374152022,
"formula_full": "Ba1 In1 Pb2",
"formula_reduced": "BaInPb2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0248878037499999,
"spacegroup": 123
},
{
"id": "jvasp-69215",
"created_at": "2022-09-04T14:35:57.237207Z",
"updated_at": "2022-09-04T14:35:57.237227Z",
"structure_string": "Ba2 In1 Pb1\n1.0\n0.000000 4.266678 4.266678\n4.266678 0.000000 4.266678\n4.266678 4.266678 0.000000\nBa In Pb\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"In",
"Pb"
],
"chemical_system": "Ba-In-Pb",
"density": 6.37800939213785,
"density_atomic": 0.025749001355069176,
"volume": 155.34583049810297,
"volume_molar": 23.38786144346692,
"formula_full": "Ba2 In1 Pb1",
"formula_reduced": "Ba2InPb",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-65599",
"created_at": "2022-09-04T14:35:46.273917Z",
"updated_at": "2022-09-04T14:35:46.273948Z",
"structure_string": "Ba1 In1 Pb2\n1.0\n4.220215 0.000000 0.000000\n0.000000 4.220215 -0.000000\n0.000000 0.000000 7.582570\nBa In Pb\n1 1 2\ndirect\n0.500001 0.500001 0.000000 Ba\n0.500001 0.500001 0.500000 In\n0.000000 0.000000 0.704935 Pb\n0.000000 0.000000 0.295065 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"In",
"Pb"
],
"chemical_system": "Ba-In-Pb",
"density": 8.195830925259008,
"density_atomic": 0.029619274013983943,
"volume": 135.04719927002625,
"volume_molar": 20.331831081196686,
"formula_full": "Ba1 In1 Pb2",
"formula_reduced": "BaInPb2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0248928037499999,
"spacegroup": 123
},
{
"id": "jvasp-64530",
"created_at": "2022-09-04T14:35:50.664941Z",
"updated_at": "2022-09-04T14:35:50.664973Z",
"structure_string": "Ba4 In1 Pb1\n1.0\n-0.000000 5.047763 5.047763\n5.047763 -0.000000 5.047763\n5.047763 5.047763 0.000000\nBa In Pb\n4 1 1\ndirect\n0.123656 0.625448 0.625448 Ba\n0.625448 0.625448 0.625448 Ba\n0.625448 0.123656 0.625448 Ba\n0.625448 0.625448 0.123656 Ba\n0.250000 0.250000 0.250000 In\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"In",
"Pb"
],
"chemical_system": "Ba-In-Pb",
"density": 5.624745894272005,
"density_atomic": 0.02332514686322493,
"volume": 257.233107048932,
"volume_molar": 25.818232979680282,
"formula_full": "Ba4 In1 Pb1",
"formula_reduced": "Ba4InPb",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0093886566666666,
"spacegroup": 216
},
{
"id": "jvasp-88546",
"created_at": "2022-09-04T14:35:51.188216Z",
"updated_at": "2022-09-04T14:35:51.188244Z",
"structure_string": "Ba6 In4 P8\n1.0\n7.124779 -0.017872 0.003524\n-0.003731 8.664304 2.196133\n-0.028809 -0.003832 8.938251\nBa In P\n6 4 8\ndirect\n0.455382 0.251353 0.994159 Ba\n0.544618 0.748647 0.005840 Ba\n0.955382 0.994159 0.251352 Ba\n0.750000 0.401039 0.598960 Ba\n0.250000 0.598961 0.401039 Ba\n0.044618 0.005841 0.748647 Ba\n0.585059 0.826098 0.580985 In\n0.914941 0.419013 0.173901 In\n0.414941 0.173902 0.419013 In\n0.085059 0.580986 0.826098 In\n0.972802 0.288888 0.941405 P\n0.027198 0.711112 0.058594 P\n0.472802 0.941405 0.288887 P\n0.566205 0.429480 0.256094 P\n0.933795 0.743906 0.570519 P\n0.433795 0.570520 0.743905 P\n0.527198 0.058595 0.711112 P\n0.066205 0.256094 0.429480 P\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ba",
"In",
"P"
],
"chemical_system": "Ba-In-P",
"density": 4.607074059135851,
"density_atomic": 0.03261869450930404,
"volume": 551.8307912312598,
"volume_molar": 18.46223722498234,
"formula_full": "Ba6 In4 P8",
"formula_reduced": "Ba3(InP2)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 1.2418255388888888,
"spacegroup": 15
},
{
"id": "jvasp-63886",
"created_at": "2022-09-04T14:36:04.018482Z",
"updated_at": "2022-09-04T14:36:04.018509Z",
"structure_string": "Ba4 In1 P1\n1.0\n0.000000 4.913091 4.913091\n4.913091 -0.000000 4.913091\n4.913091 4.913091 0.000000\nBa In P\n4 1 1\ndirect\n0.121364 0.626211 0.626211 Ba\n0.626211 0.626211 0.626211 Ba\n0.626211 0.121364 0.626211 Ba\n0.626211 0.626211 0.121364 Ba\n0.250000 0.250000 0.250000 In\n0.000000 0.000000 0.000000 P\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"In",
"P"
],
"chemical_system": "Ba-In-P",
"density": 4.866332920957443,
"density_atomic": 0.02529628992606829,
"volume": 237.18893235078278,
"volume_molar": 23.806418955508864,
"formula_full": "Ba4 In1 P1",
"formula_reduced": "Ba4InP",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.3293365583333333,
"spacegroup": 216
},
{
"id": "jvasp-113788",
"created_at": "2022-09-04T14:38:49.800514Z",
"updated_at": "2022-09-04T14:38:49.800532Z",
"structure_string": "Ba2 Zr1 In1 O6\n1.0\n5.211313 0.000000 3.008753\n1.737104 4.913273 3.008753\n-0.000000 -0.000000 6.017505\nBa Zr In O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.749999 0.750000 0.750001 Ba\n0.499999 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 In\n0.254223 0.254224 0.745777 O\n0.745775 0.745776 0.254224 O\n0.254223 0.745776 0.254224 O\n0.745776 0.254224 0.745777 O\n0.745776 0.254224 0.254224 O\n0.254223 0.745776 0.745777 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Zr",
"In",
"O"
],
"chemical_system": "Ba-In-O-Zr",
"density": 6.215252994493797,
"density_atomic": 0.06490310675983915,
"volume": 154.07582932821663,
"volume_molar": 9.278663319282568,
"formula_full": "Ba2 Zr1 In1 O6",
"formula_reduced": "Ba2ZrInO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.853922741,
"spacegroup": 225
},
{
"id": "jvasp-97445",
"created_at": "2022-09-04T14:36:05.912309Z",
"updated_at": "2022-09-04T14:36:05.912329Z",
"structure_string": "Ba6 Zn10 In4 O22\n1.0\n8.257721 0.000000 4.767597\n2.752574 7.785454 4.767597\n0.000000 0.000000 9.535194\nBa Zn In O\n6 10 4 22\ndirect\n0.294113 0.294113 0.705887 Ba\n0.294113 0.705886 0.294114 Ba\n0.705887 0.294113 0.294114 Ba\n0.705887 0.705886 0.294114 Ba\n0.294113 0.705886 0.705887 Ba\n0.705887 0.294113 0.705887 Ba\n0.418502 0.081498 0.081498 Zn\n0.751112 0.082962 0.082963 Zn\n0.418502 0.081498 0.418502 Zn\n0.081498 0.418502 0.418502 Zn\n0.081498 0.418502 0.081498 Zn\n0.418502 0.418502 0.081498 Zn\n0.082962 0.082962 0.751112 Zn\n0.082962 0.751112 0.082963 Zn\n0.082962 0.082962 0.082963 Zn\n0.081498 0.081498 0.418502 Zn\n0.834878 0.834878 0.834879 In\n0.834878 0.834878 0.495364 In\n0.834879 0.495364 0.834879 In\n0.495363 0.834878 0.834879 In\n0.671330 0.333633 0.997518 O\n0.667825 0.996523 0.667826 O\n0.667825 0.667825 0.996524 O\n0.342390 0.342390 0.972830 O\n0.997518 0.997517 0.333634 O\n0.333633 0.671330 0.997518 O\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.500000 O\n0.997518 0.671330 0.997518 O\n0.997518 0.333633 0.997518 O\n0.342390 0.972830 0.342391 O\n0.972830 0.342390 0.342390 O\n0.997518 0.997517 0.671331 O\n0.667825 0.667825 0.667826 O\n0.671330 0.997517 0.997518 O\n0.333633 0.997517 0.997518 O\n0.333633 0.997517 0.671331 O\n0.342390 0.342390 0.342390 O\n0.997518 0.671330 0.333634 O\n0.671330 0.997517 0.333634 O\n0.997518 0.333633 0.671331 O\n0.996523 0.667825 0.667826 O\n",
"nsites": 42,
"nelements": 4,
"elements": [
"Ba",
"Zn",
"In",
"O"
],
"chemical_system": "Ba-In-O-Zn",
"density": 6.2012633154156,
"density_atomic": 0.06851341393675466,
"volume": 613.0186424335908,
"volume_molar": 8.789725126759983,
"formula_full": "Ba6 Zn10 In4 O22",
"formula_reduced": "Ba3Zn5In2O11",
"formula_anonymous": "A2B3C5D11",
"energy_above_hull": 0.9238623023809522,
"spacegroup": 216
}
]
}