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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=3827",
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"results": [
{
"id": "jvasp-77171",
"created_at": "2022-09-04T14:36:31.734515Z",
"updated_at": "2022-09-04T14:36:31.734541Z",
"structure_string": "Ba2 In1 Hg1\n1.0\n-18.757130 -3.553978 -7.927625\n-11.287193 -2.257414 -1.604732\n-9.241689 1.209069 -3.254131\nBa In Hg\n2 1 1\ndirect\n0.846070 0.806996 0.193006 Ba\n0.153928 0.193006 0.806995 Ba\n0.000000 0.000000 0.000000 In\n0.500000 0.000001 -0.000000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"In",
"Hg"
],
"chemical_system": "Ba-Hg-In",
"density": 5.528655335397726,
"density_atomic": 0.022570062572947205,
"volume": 177.22591539442413,
"volume_molar": 26.681985220626828,
"formula_full": "Ba2 In1 Hg1",
"formula_reduced": "Ba2InHg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.099295,
"spacegroup": 71
},
{
"id": "jvasp-64471",
"created_at": "2022-09-04T14:36:05.031724Z",
"updated_at": "2022-09-04T14:36:05.031760Z",
"structure_string": "Ba4 In1 Hg1\n1.0\n0.000000 5.049708 5.049708\n5.049708 -0.000000 5.049708\n5.049708 5.049708 0.000000\nBa In Hg\n4 1 1\ndirect\n0.124152 0.625283 0.625283 Ba\n0.625283 0.625283 0.625283 Ba\n0.625283 0.124152 0.625283 Ba\n0.625283 0.625283 0.124152 Ba\n0.000000 0.000000 0.000000 In\n0.250000 0.250000 0.250000 Hg\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"In",
"Hg"
],
"chemical_system": "Ba-Hg-In",
"density": 5.575628117580258,
"density_atomic": 0.02329820474774542,
"volume": 257.5305722034494,
"volume_molar": 25.84808926354193,
"formula_full": "Ba4 In1 Hg1",
"formula_reduced": "Ba4InHg",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"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-16011",
"created_at": "2022-09-04T14:36:57.378843Z",
"updated_at": "2022-09-04T14:36:57.378860Z",
"structure_string": "Ba2 Hg1\n1.0\n4.065478 -0.000000 -1.083443\n-0.288735 4.055211 -1.083443\n-0.032541 -0.034941 8.047201\nBa Hg\n2 1\ndirect\n0.369504 0.369504 0.739007 Ba\n0.630496 0.630496 0.260994 Ba\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ba",
"Hg"
],
"chemical_system": "Ba-Hg",
"density": 5.962173397911521,
"density_atomic": 0.022665229303363336,
"volume": 132.36133461728642,
"volume_molar": 26.56995294155865,
"formula_full": "Ba2 Hg1",
"formula_reduced": "Ba2Hg",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"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-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-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-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-69221",
"created_at": "2022-09-04T14:36:08.113169Z",
"updated_at": "2022-09-04T14:36:08.113209Z",
"structure_string": "Ba1 Hf1 Zr4\n1.0\n0.000000 4.267117 4.267117\n4.267117 -0.000000 4.267117\n4.267117 4.267117 -0.000000\nBa Hf Zr\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Hf\n0.115612 0.628129 0.628129 Zr\n0.628129 0.628129 0.628129 Zr\n0.628129 0.115612 0.628129 Zr\n0.628129 0.628129 0.115612 Zr\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Hf",
"Zr"
],
"chemical_system": "Ba-Hf-Zr",
"density": 7.274103793545901,
"density_atomic": 0.03861158252836808,
"volume": 155.39378619334695,
"volume_molar": 15.596720894761333,
"formula_full": "Ba1 Hf1 Zr4",
"formula_reduced": "BaHfZr4",
"formula_anonymous": "ABC4",
"energy_above_hull": 4.247649495,
"spacegroup": 216
},
{
"id": "jvasp-64399",
"created_at": "2022-09-04T14:36:06.584778Z",
"updated_at": "2022-09-04T14:36:06.584795Z",
"structure_string": "Ba4 Hf1 Zn1\n1.0\n-0.000000 5.012624 5.012624\n5.012624 0.000000 5.012624\n5.012624 5.012624 -0.000000\nBa Hf Zn\n4 1 1\ndirect\n0.125474 0.624842 0.624842 Ba\n0.624842 0.624842 0.624842 Ba\n0.624842 0.125474 0.624842 Ba\n0.624842 0.624842 0.125474 Ba\n0.250000 0.250000 0.250000 Hf\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Hf",
"Zn"
],
"chemical_system": "Ba-Hf-Zn",
"density": 5.228898992263682,
"density_atomic": 0.023819128496432352,
"volume": 251.898384984937,
"volume_molar": 25.28279219326602,
"formula_full": "Ba4 Hf1 Zn1",
"formula_reduced": "Ba4HfZn",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.6871812133333332,
"spacegroup": 216
},
{
"id": "jvasp-65629",
"created_at": "2022-09-04T14:36:15.462907Z",
"updated_at": "2022-09-04T14:36:15.462921Z",
"structure_string": "Ba2 Y1 Hf1\n1.0\n-0.000000 4.186848 4.186848\n4.186848 -0.000000 4.186848\n4.186848 4.186848 -0.000000\nBa Y Hf\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Hf\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Y",
"Hf"
],
"chemical_system": "Ba-Hf-Y",
"density": 6.131923766043321,
"density_atomic": 0.02725011956849613,
"volume": 146.7883467426837,
"volume_molar": 22.099502150303216,
"formula_full": "Ba2 Y1 Hf1",
"formula_reduced": "Ba2YHf",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.1393750975000003,
"spacegroup": 225
},
{
"id": "jvasp-64272",
"created_at": "2022-09-04T14:35:58.934328Z",
"updated_at": "2022-09-04T14:35:58.934353Z",
"structure_string": "Ba4 Y1 Hf1\n1.0\n-0.000000 5.001784 5.001784\n5.001784 0.000000 5.001784\n5.001784 5.001784 0.000000\nBa Y Hf\n4 1 1\ndirect\n0.127269 0.624243 0.624243 Ba\n0.624243 0.624243 0.624243 Ba\n0.624243 0.127269 0.624243 Ba\n0.624243 0.624243 0.127269 Ba\n0.000000 0.000000 0.000000 Y\n0.250000 0.250000 0.250000 Hf\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"Y",
"Hf"
],
"chemical_system": "Ba-Hf-Y",
"density": 5.418872164490773,
"density_atomic": 0.023974328721202906,
"volume": 250.26769549103568,
"volume_molar": 25.119121498797234,
"formula_full": "Ba4 Y1 Hf1",
"formula_reduced": "Ba4YHf",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.5129387216666663,
"spacegroup": 216
}
]
}