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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=3823",
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"results": [
{
"id": "jvasp-69254",
"created_at": "2022-09-04T14:35:58.216816Z",
"updated_at": "2022-09-04T14:35:58.216841Z",
"structure_string": "Ba1 Hg1 Se2\n1.0\n4.426130 -0.000000 0.000000\n0.000000 4.426130 0.000000\n0.000000 -0.000000 7.070054\nBa Hg Se\n1 1 2\ndirect\n0.500000 0.500000 -0.000000 Ba\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.826617 Se\n0.000000 0.000000 0.173383 Se\n",
"nsites": 4,
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"elements": [
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"Hg",
"Se"
],
"chemical_system": "Ba-Hg-Se",
"density": 5.944522386827034,
"density_atomic": 0.02887945076855083,
"volume": 138.50678920652894,
"volume_molar": 20.85268452043415,
"formula_full": "Ba1 Hg1 Se2",
"formula_reduced": "BaHgSe2",
"formula_anonymous": "ABC2",
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"spacegroup": 123
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{
"id": "jvasp-64170",
"created_at": "2022-09-04T14:36:14.337606Z",
"updated_at": "2022-09-04T14:36:14.337631Z",
"structure_string": "Ba4 Hg1 Se1\n1.0\n0.000000 4.964706 4.964706\n4.964706 0.000000 4.964706\n4.964706 4.964706 -0.000000\nBa Hg Se\n4 1 1\ndirect\n0.121351 0.626217 0.626217 Ba\n0.626217 0.626217 0.626217 Ba\n0.626217 0.121351 0.626217 Ba\n0.626217 0.626217 0.121351 Ba\n0.250000 0.250000 0.250000 Hg\n0.000000 0.000000 0.000000 Se\n",
"nsites": 6,
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"elements": [
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],
"chemical_system": "Ba-Hg-Se",
"density": 5.623654469378252,
"density_atomic": 0.02451549395329656,
"volume": 244.74318206397754,
"volume_molar": 24.56463154065967,
"formula_full": "Ba4 Hg1 Se1",
"formula_reduced": "Ba4HgSe",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-64219",
"created_at": "2022-09-04T14:36:12.081557Z",
"updated_at": "2022-09-04T14:36:12.081585Z",
"structure_string": "Ba4 Sc1 Hg1\n1.0\n0.000000 5.104469 5.104469\n5.104469 -0.000000 5.104469\n5.104469 5.104469 -0.000000\nBa Sc Hg\n4 1 1\ndirect\n0.125654 0.624782 0.624782 Ba\n0.624782 0.624782 0.624782 Ba\n0.624782 0.125654 0.624782 Ba\n0.624782 0.624782 0.125654 Ba\n0.000000 0.000000 0.000000 Sc\n0.250000 0.250000 0.250000 Hg\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Sc",
"Hg"
],
"chemical_system": "Ba-Hg-Sc",
"density": 4.961976531826233,
"density_atomic": 0.022556387292059284,
"volume": 266.000043460516,
"volume_molar": 26.698161731422413,
"formula_full": "Ba4 Sc1 Hg1",
"formula_reduced": "Ba4ScHg",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0789872883333332,
"spacegroup": 216
},
{
"id": "jvasp-69016",
"created_at": "2022-09-04T14:36:05.389362Z",
"updated_at": "2022-09-04T14:36:05.389387Z",
"structure_string": "Ba2 Sc1 Hg1\n1.0\n-0.000000 4.194648 4.194648\n4.194648 -0.000000 4.194648\n4.194648 4.194648 0.000000\nBa Sc Hg\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Sc",
"Hg"
],
"chemical_system": "Ba-Hg-Sc",
"density": 5.851979680434335,
"density_atomic": 0.027098386262252246,
"volume": 147.61026583977645,
"volume_molar": 22.223244962703838,
"formula_full": "Ba2 Sc1 Hg1",
"formula_reduced": "Ba2ScHg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1353229475,
"spacegroup": 225
},
{
"id": "jvasp-66405",
"created_at": "2022-09-04T14:35:43.828768Z",
"updated_at": "2022-09-04T14:35:43.828798Z",
"structure_string": "Ba1 Hg1 Sb1\n1.0\n-0.000000 3.957095 3.957095\n3.957095 0.000000 3.957095\n3.957095 3.957095 -0.000000\nBa Hg Sb\n1 1 1\ndirect\n0.749999 0.749999 0.749999 Ba\n0.000000 0.000000 0.000000 Hg\n0.499999 0.499999 0.499999 Sb\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Hg",
"Sb"
],
"chemical_system": "Ba-Hg-Sb",
"density": 6.159457258838491,
"density_atomic": 0.024208162664706566,
"volume": 123.92514217420324,
"volume_molar": 24.876488329202143,
"formula_full": "Ba1 Hg1 Sb1",
"formula_reduced": "BaHgSb",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-64512",
"created_at": "2022-09-04T14:35:42.256788Z",
"updated_at": "2022-09-04T14:35:42.256815Z",
"structure_string": "Ba4 Hg1 Sb1\n1.0\n-0.000000 4.998321 4.998321\n4.998321 0.000000 4.998321\n4.998321 4.998321 -0.000000\nBa Hg Sb\n4 1 1\ndirect\n0.120928 0.626357 0.626357 Ba\n0.626357 0.626357 0.626357 Ba\n0.626357 0.120928 0.626357 Ba\n0.626357 0.626357 0.120928 Ba\n0.250000 0.250000 0.250000 Hg\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Hg",
"Sb"
],
"chemical_system": "Ba-Hg-Sb",
"density": 5.795525098522649,
"density_atomic": 0.02402419384676843,
"volume": 249.7482345617636,
"volume_molar": 25.06698371820729,
"formula_full": "Ba4 Hg1 Sb1",
"formula_reduced": "Ba4HgSb",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-49409",
"created_at": "2022-09-04T14:37:07.304534Z",
"updated_at": "2022-09-04T14:37:07.304554Z",
"structure_string": "Ba8 Hg4 S12\n1.0\n4.386710 -0.000000 0.000000\n-0.000000 8.996967 0.000000\n0.000000 0.000000 17.405694\nBa Hg S\n8 4 12\ndirect\n0.250000 0.258561 0.960969 Ba\n0.250000 0.424811 0.215236 Ba\n0.750000 0.075189 0.715235 Ba\n0.250000 0.924811 0.284764 Ba\n0.250000 0.758562 0.539031 Ba\n0.750000 0.241439 0.460969 Ba\n0.750000 0.741439 0.039031 Ba\n0.750000 0.575190 0.784764 Ba\n0.750000 0.124678 0.133404 Hg\n0.250000 0.875322 0.866595 Hg\n0.750000 0.624678 0.366596 Hg\n0.250000 0.375322 0.633404 Hg\n0.250000 0.114115 0.571838 S\n0.250000 0.810093 0.721250 S\n0.750000 0.189907 0.278750 S\n0.250000 0.310093 0.778750 S\n0.750000 0.689907 0.221250 S\n0.250000 0.983246 0.095597 S\n0.750000 0.016754 0.904402 S\n0.250000 0.483246 0.404403 S\n0.750000 0.516754 0.595597 S\n0.250000 0.614115 0.928162 S\n0.750000 0.885885 0.428162 S\n0.750000 0.385885 0.071838 S\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ba",
"Hg",
"S"
],
"chemical_system": "Ba-Hg-S",
"density": 5.525258095117843,
"density_atomic": 0.0349369384962817,
"volume": 686.9520064717261,
"volume_molar": 17.23717365973819,
"formula_full": "Ba8 Hg4 S12",
"formula_reduced": "Ba2HgS3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.38969609,
"spacegroup": 62
},
{
"id": "jvasp-24650",
"created_at": "2022-09-04T14:37:07.680344Z",
"updated_at": "2022-09-04T14:37:07.680365Z",
"structure_string": "Ba4 Hg4 S8\n1.0\n4.251001 0.000000 0.000000\n0.000000 7.396571 0.000000\n0.000000 0.000000 14.514128\nBa Hg S\n4 4 8\ndirect\n0.000000 0.005991 0.898348 Ba\n0.000000 0.681071 0.609009 Ba\n0.000000 0.505990 0.101653 Ba\n0.000000 0.181071 0.390991 Ba\n0.500000 0.662704 0.353116 Hg\n0.500000 0.162704 0.646884 Hg\n0.500000 0.003634 0.143234 Hg\n0.500000 0.503634 0.856766 Hg\n0.500000 0.389507 0.530331 S\n0.500000 0.889507 0.469669 S\n0.000000 0.886882 0.224774 S\n0.000000 0.386882 0.775226 S\n0.500000 0.395395 0.261673 S\n0.500000 0.731217 0.983860 S\n0.500000 0.231217 0.016140 S\n0.500000 0.895395 0.738327 S\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ba",
"Hg",
"S"
],
"chemical_system": "Ba-Hg-S",
"density": 5.851582444239015,
"density_atomic": 0.035059635475583766,
"volume": 456.3652697171573,
"volume_molar": 17.17684932632554,
"formula_full": "Ba4 Hg4 S8",
"formula_reduced": "BaHgS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1638701425000001,
"spacegroup": 26
},
{
"id": "jvasp-66491",
"created_at": "2022-09-04T14:35:49.625784Z",
"updated_at": "2022-09-04T14:35:49.625812Z",
"structure_string": "Ba4 Hg1 Ru1\n1.0\n0.000000 4.808592 4.808592\n4.808592 -0.000000 4.808592\n4.808592 4.808592 -0.000000\nBa Hg Ru\n4 1 1\ndirect\n0.123177 0.625608 0.625608 Ba\n0.625608 0.625608 0.625608 Ba\n0.625608 0.123177 0.625608 Ba\n0.625608 0.625608 0.123177 Ba\n0.250000 0.250000 0.250000 Hg\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Hg",
"Ru"
],
"chemical_system": "Ba-Hg-Ru",
"density": 6.354458418797339,
"density_atomic": 0.026981585487202118,
"volume": 222.37388543552842,
"volume_molar": 22.319447324014437,
"formula_full": "Ba4 Hg1 Ru1",
"formula_reduced": "Ba4HgRu",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.4897114966666666,
"spacegroup": 216
},
{
"id": "jvasp-66557",
"created_at": "2022-09-04T14:36:19.367326Z",
"updated_at": "2022-09-04T14:36:19.367341Z",
"structure_string": "Ba4 Hg1 Rh1\n1.0\n-0.000000 4.823894 4.823894\n4.823894 -0.000000 4.823894\n4.823894 4.823894 0.000000\nBa Hg Rh\n4 1 1\ndirect\n0.123125 0.625625 0.625625 Ba\n0.625625 0.625625 0.625625 Ba\n0.625625 0.123125 0.625625 Ba\n0.625625 0.625625 0.123125 Ba\n0.250000 0.250000 0.250000 Hg\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"Hg",
"Rh"
],
"chemical_system": "Ba-Hg-Rh",
"density": 6.3077548713756695,
"density_atomic": 0.026725632149582304,
"volume": 224.50357643247642,
"volume_molar": 22.533202306663192,
"formula_full": "Ba4 Hg1 Rh1",
"formula_reduced": "Ba4HgRh",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.1516852466666666,
"spacegroup": 216
},
{
"id": "jvasp-66669",
"created_at": "2022-09-04T14:36:20.478611Z",
"updated_at": "2022-09-04T14:36:20.478630Z",
"structure_string": "Ba4 Re1 Hg1\n1.0\n0.000000 4.760996 4.760996\n4.760996 -0.000000 4.760996\n4.760996 4.760996 -0.000000\nBa Re Hg\n4 1 1\ndirect\n0.122662 0.625780 0.625780 Ba\n0.625780 0.625780 0.625780 Ba\n0.625780 0.122662 0.625780 Ba\n0.625780 0.625780 0.122662 Ba\n0.000000 0.000000 0.000000 Re\n0.250000 0.250000 0.250000 Hg\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Re",
"Hg"
],
"chemical_system": "Ba-Hg-Re",
"density": 7.201951907344611,
"density_atomic": 0.02779891239621701,
"volume": 215.835782151553,
"volume_molar": 21.66322435268913,
"formula_full": "Ba4 Re1 Hg1",
"formula_reduced": "Ba4ReHg",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.9890027466666664,
"spacegroup": 216
},
{
"id": "jvasp-69228",
"created_at": "2022-09-04T14:36:20.871346Z",
"updated_at": "2022-09-04T14:36:20.871362Z",
"structure_string": "Ba1 Hg1 Pt2\n1.0\n4.629386 0.000000 0.000000\n0.000000 4.629386 0.000000\n0.000000 -0.000000 4.307801\nBa Hg Pt\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Ba\n0.500000 0.500000 0.500000 Hg\n0.000000 0.500000 0.000000 Pt\n0.500000 0.000000 0.000000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Hg",
"Pt"
],
"chemical_system": "Ba-Hg-Pt",
"density": 13.095701299322904,
"density_atomic": 0.0433268954051745,
"volume": 92.32140827524611,
"volume_molar": 13.899312894874022,
"formula_full": "Ba1 Hg1 Pt2",
"formula_reduced": "BaHgPt2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.7915283424999999,
"spacegroup": 123
}
]
}