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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=369",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=367",
"results": [
{
"id": "jvasp-20618",
"created_at": "2022-09-04T14:38:14.370844Z",
"updated_at": "2022-09-04T14:38:14.370874Z",
"structure_string": "Ba1 Hg1\n1.0\n4.157748 0.000000 0.000000\n0.000000 4.157748 -0.000000\n0.000000 0.000000 4.157748\nBa Hg\n1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ba",
"Hg"
],
"chemical_system": "Ba-Hg",
"density": 7.807008431653829,
"density_atomic": 0.027826302734797918,
"volume": 71.87444264734887,
"volume_molar": 21.6419005334441,
"formula_full": "Ba1 Hg1",
"formula_reduced": "BaHg",
"formula_anonymous": "AB",
"energy_above_hull": 0.130944,
"spacegroup": 221
},
{
"id": "jvasp-20429",
"created_at": "2022-09-04T14:37:36.532824Z",
"updated_at": "2022-09-04T14:37:36.532845Z",
"structure_string": "Ba1 Hg1\n1.0\n4.157748 0.000000 0.000000\n0.000000 4.157748 -0.000000\n0.000000 0.000000 4.157748\nBa Hg\n1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ba",
"Hg"
],
"chemical_system": "Ba-Hg",
"density": 7.807008431653829,
"density_atomic": 0.027826302734797918,
"volume": 71.87444264734887,
"volume_molar": 21.6419005334441,
"formula_full": "Ba1 Hg1",
"formula_reduced": "BaHg",
"formula_anonymous": "AB",
"energy_above_hull": 0.130944,
"spacegroup": 221
},
{
"id": "jvasp-7703",
"created_at": "2022-09-04T14:37:06.426087Z",
"updated_at": "2022-09-04T14:37:06.426105Z",
"structure_string": "Ba2 Hg4\n1.0\n4.816780 -0.000000 2.071797\n2.186144 6.066920 1.552604\n0.001267 0.100427 6.632287\nBa Hg\n2 4\ndirect\n0.499017 0.250984 0.750984 Ba\n0.500983 0.749017 0.249017 Ba\n0.833313 0.165348 0.168025 Hg\n0.166686 0.834653 0.831975 Hg\n0.166687 0.331975 0.334652 Hg\n0.833313 0.668025 0.665348 Hg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ba",
"Hg"
],
"chemical_system": "Ba-Hg",
"density": 9.24234117026796,
"density_atomic": 0.031007217825505275,
"volume": 193.50333311957593,
"volume_molar": 19.421738492920934,
"formula_full": "Ba2 Hg4",
"formula_reduced": "BaHg2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0713646666666666,
"spacegroup": 191
},
{
"id": "jvasp-26727",
"created_at": "2022-09-04T14:37:46.101027Z",
"updated_at": "2022-09-04T14:37:46.101051Z",
"structure_string": "Ba4 Hg8 Cl8 O8\n1.0\n11.994042 0.000000 -0.000000\n0.000000 11.994042 -0.000000\n0.000000 0.000000 4.344377\nBa Hg Cl O\n4 8 8 8\ndirect\n0.635119 0.135119 0.000000 Ba\n0.364880 0.864880 0.000000 Ba\n0.135119 0.364880 0.000000 Ba\n0.864880 0.635119 0.000000 Ba\n0.673929 0.421015 0.500000 Hg\n0.326071 0.578985 0.500000 Hg\n0.173929 0.078985 0.500000 Hg\n0.578985 0.673929 0.500000 Hg\n0.826071 0.921015 0.500000 Hg\n0.078985 0.826071 0.500000 Hg\n0.921015 0.173929 0.500000 Hg\n0.421015 0.326071 0.500000 Hg\n0.000000 0.500000 0.500000 Cl\n0.170133 0.670133 0.000000 Cl\n0.500000 0.500000 0.000000 Cl\n0.000000 0.000000 0.000000 Cl\n0.329867 0.170133 0.000000 Cl\n0.670133 0.829867 0.000000 Cl\n0.500000 0.000000 0.500000 Cl\n0.829867 0.329867 0.000000 Cl\n0.769646 0.086110 0.500000 O\n0.586110 0.269646 0.500000 O\n0.413889 0.730354 0.500000 O\n0.269646 0.413889 0.500000 O\n0.913889 0.769646 0.500000 O\n0.230354 0.913889 0.500000 O\n0.086110 0.230354 0.500000 O\n0.730354 0.586110 0.500000 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Ba",
"Hg",
"Cl",
"O"
],
"chemical_system": "Ba-Cl-Hg-O",
"density": 6.816907449170137,
"density_atomic": 0.044802205626225396,
"volume": 624.9692310596855,
"volume_molar": 13.441616714679965,
"formula_full": "Ba4 Hg8 Cl8 O8",
"formula_reduced": "BaHg2(ClO)2",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 0.0397243292857141,
"spacegroup": 127
},
{
"id": "jvasp-41014",
"created_at": "2022-09-04T14:37:33.737748Z",
"updated_at": "2022-09-04T14:37:33.737770Z",
"structure_string": "Ba1 Hg2 Pb1\n1.0\n0.000000 3.952445 3.952445\n3.952445 -0.000000 3.952445\n3.952445 3.952445 -0.000000\nBa Hg Pb\n1 2 1\ndirect\n0.249999 0.249999 0.249999 Ba\n0.000000 0.000000 0.000000 Hg\n0.499998 0.499998 0.499998 Hg\n0.749999 0.749999 0.749999 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Hg",
"Pb"
],
"chemical_system": "Ba-Hg-Pb",
"density": 10.0274340866621,
"density_atomic": 0.032391606651067786,
"volume": 123.48878038342504,
"volume_molar": 18.591670443742807,
"formula_full": "Ba1 Hg2 Pb1",
"formula_reduced": "BaHg2Pb",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-40505",
"created_at": "2022-09-04T14:38:06.123378Z",
"updated_at": "2022-09-04T14:38:06.123395Z",
"structure_string": "Ba2 Hg6\n1.0\n3.613616 -6.258967 0.000000\n3.613616 6.258967 0.000000\n-0.000000 -0.000000 5.410766\nBa Hg\n2 6\ndirect\n0.333333 0.666668 0.750001 Ba\n0.666668 0.333333 0.250000 Ba\n0.695259 0.847630 0.250000 Hg\n0.152371 0.847630 0.250000 Hg\n0.152371 0.304742 0.250000 Hg\n0.304742 0.152371 0.750001 Hg\n0.847630 0.152371 0.750001 Hg\n0.847630 0.695259 0.750001 Hg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ba",
"Hg"
],
"chemical_system": "Ba-Hg",
"density": 10.028757323024365,
"density_atomic": 0.03268560866462973,
"volume": 244.75603566339848,
"volume_molar": 18.424441232807073,
"formula_full": "Ba2 Hg6",
"formula_reduced": "BaHg3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-66580",
"created_at": "2022-09-04T14:35:58.705146Z",
"updated_at": "2022-09-04T14:35:58.705165Z",
"structure_string": "Ba1 Hg1 Br1\n1.0\n-0.000000 3.927508 3.927508\n3.927508 -0.000000 3.927508\n3.927508 3.927508 0.000000\nBa Hg Br\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Br\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Hg",
"Br"
],
"chemical_system": "Ba-Br-Hg",
"density": 5.7260894882361635,
"density_atomic": 0.02475939475117184,
"volume": 121.16612825755817,
"volume_molar": 24.32264932370763,
"formula_full": "Ba1 Hg1 Br1",
"formula_reduced": "BaHgBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-66390",
"created_at": "2022-09-04T14:36:10.576195Z",
"updated_at": "2022-09-04T14:36:10.576221Z",
"structure_string": "Ba1 Hg1 Cl1\n1.0\n-0.000000 3.842682 3.842682\n3.842682 -0.000000 3.842682\n3.842682 3.842682 0.000000\nBa Hg Cl\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Hg",
"Cl"
],
"chemical_system": "Ba-Cl-Hg",
"density": 5.46330169027517,
"density_atomic": 0.026435523853994263,
"volume": 113.48365996336086,
"volume_molar": 22.78048580864452,
"formula_full": "Ba1 Hg1 Cl1",
"formula_reduced": "BaHgCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-1456",
"created_at": "2022-09-04T14:36:34.707508Z",
"updated_at": "2022-09-04T14:36:34.707543Z",
"structure_string": "Ba1 Hg1 O2\n1.0\n3.966343 0.006134 5.737822\n1.794638 3.537116 5.737822\n0.009974 0.006134 6.975270\nBa Hg O\n1 1 2\ndirect\n0.500000 0.499999 0.500000 Ba\n0.000000 0.000000 0.000000 Hg\n0.898601 0.898601 0.898603 O\n0.101398 0.101398 0.101398 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Hg",
"O"
],
"chemical_system": "Ba-Hg-O",
"density": 6.299862095241252,
"density_atomic": 0.04102409934286898,
"volume": 97.50366404315226,
"volume_molar": 14.67951973709034,
"formula_full": "Ba1 Hg1 O2",
"formula_reduced": "BaHgO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.3062568925,
"spacegroup": 166
},
{
"id": "jvasp-66216",
"created_at": "2022-09-04T14:35:58.734682Z",
"updated_at": "2022-09-04T14:35:58.734710Z",
"structure_string": "Ba1 Hg1 Pb1\n1.0\n0.000000 3.957428 3.957428\n3.957428 0.000000 3.957428\n3.957428 3.957428 0.000000\nBa Hg Pb\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Pb\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Hg",
"Pb"
],
"chemical_system": "Ba-Hg-Pb",
"density": 7.302469660652681,
"density_atomic": 0.024202052150608337,
"volume": 123.95643069154335,
"volume_molar": 24.882769124388606,
"formula_full": "Ba1 Hg1 Pb1",
"formula_reduced": "BaHgPb",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1933234244444444,
"spacegroup": 216
},
{
"id": "jvasp-99559",
"created_at": "2022-09-04T14:36:55.855550Z",
"updated_at": "2022-09-04T14:36:55.855572Z",
"structure_string": "Ba2 Hg2 Pb2\n1.0\n5.170268 0.045947 4.223760\n2.367287 4.596709 4.223760\n-0.025720 -0.015842 8.518529\nBa Hg Pb\n2 2 2\ndirect\n0.457849 0.457849 0.298783 Ba\n0.542152 0.542152 0.701216 Ba\n0.836886 0.836886 0.701546 Hg\n0.163115 0.163115 0.298454 Hg\n0.162090 0.162090 0.909761 Pb\n0.837910 0.837911 0.090239 Pb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Hg",
"Pb"
],
"chemical_system": "Ba-Hg-Pb",
"density": 8.953013411427753,
"density_atomic": 0.029672331082181282,
"volume": 202.2085822439174,
"volume_molar": 20.29547575254846,
"formula_full": "Ba2 Hg2 Pb2",
"formula_reduced": "BaHgPb",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0422267577777777,
"spacegroup": 12
},
{
"id": "jvasp-65461",
"created_at": "2022-09-04T14:36:16.045573Z",
"updated_at": "2022-09-04T14:36:16.045584Z",
"structure_string": "Ba1 Hg1 Pd2\n1.0\n3.325465 -3.326476 0.000000\n3.325465 3.326476 0.000000\n0.000000 0.000000 4.197291\nBa Hg Pd\n1 1 2\ndirect\n0.500001 0.000000 0.500000 Ba\n0.000000 0.500001 0.500000 Hg\n0.000000 0.000000 0.000000 Pd\n0.500001 0.500001 0.000000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Hg",
"Pd"
],
"chemical_system": "Ba-Hg-Pd",
"density": 9.848572167140869,
"density_atomic": 0.04307488630814435,
"volume": 92.86153354846356,
"volume_molar": 13.980630655457746,
"formula_full": "Ba1 Hg1 Pd2",
"formula_reduced": "BaHgPd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.2895454925,
"spacegroup": 123
}
]
}