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=formula_full&page=471",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_full&page=469",
"results": [
{
"id": "jvasp-66083",
"created_at": "2022-09-04T14:36:12.207953Z",
"updated_at": "2022-09-04T14:36:12.207981Z",
"structure_string": "Ba4 Tl1 Re1\n1.0\n0.000000 4.793303 4.793303\n4.793303 -0.000000 4.793303\n4.793303 4.793303 -0.000000\nBa Tl Re\n4 1 1\ndirect\n0.127484 0.624172 0.624172 Ba\n0.624172 0.624172 0.624172 Ba\n0.624172 0.127484 0.624172 Ba\n0.624172 0.624172 0.127484 Ba\n0.000000 0.000000 0.000000 Tl\n0.250000 0.250000 0.250000 Re\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Tl",
"Re"
],
"chemical_system": "Ba-Re-Tl",
"density": 7.085904859558771,
"density_atomic": 0.027240596024683268,
"volume": 220.25949779378087,
"volume_molar": 22.10722832401763,
"formula_full": "Ba4 Tl1 Re1",
"formula_reduced": "Ba4TlRe",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.174407413333333,
"spacegroup": 216
},
{
"id": "jvasp-64021",
"created_at": "2022-09-04T14:36:01.445464Z",
"updated_at": "2022-09-04T14:36:01.445487Z",
"structure_string": "Ba4 Tl1 Rh1\n1.0\n0.000000 4.859332 4.859332\n4.859332 -0.000000 4.859332\n4.859332 4.859332 0.000000\nBa Tl Rh\n4 1 1\ndirect\n0.126726 0.624425 0.624425 Ba\n0.624425 0.624425 0.624425 Ba\n0.624425 0.126726 0.624425 Ba\n0.624425 0.624425 0.126726 Ba\n0.000000 0.000000 0.000000 Tl\n0.250000 0.250000 0.250000 Rh\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Tl",
"Rh"
],
"chemical_system": "Ba-Rh-Tl",
"density": 6.19820353574459,
"density_atomic": 0.026145174133932914,
"volume": 229.4878576544957,
"volume_molar": 23.033469691770282,
"formula_full": "Ba4 Tl1 Rh1",
"formula_reduced": "Ba4TlRh",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.33798158,
"spacegroup": 216
},
{
"id": "jvasp-66443",
"created_at": "2022-09-04T14:36:22.245158Z",
"updated_at": "2022-09-04T14:36:22.245187Z",
"structure_string": "Ba4 Tl1 Ru1\n1.0\n0.000000 4.857484 4.857484\n4.857484 -0.000000 4.857484\n4.857484 4.857484 0.000000\nBa Tl Ru\n4 1 1\ndirect\n0.126523 0.624492 0.624492 Ba\n0.624492 0.624492 0.624492 Ba\n0.624492 0.126523 0.624492 Ba\n0.624492 0.624492 0.126523 Ba\n0.000000 0.000000 0.000000 Tl\n0.250000 0.250000 0.250000 Ru\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Tl",
"Ru"
],
"chemical_system": "Ba-Ru-Tl",
"density": 6.19198387126402,
"density_atomic": 0.026175025801440422,
"volume": 229.22613507681118,
"volume_molar": 23.00720085505551,
"formula_full": "Ba4 Tl1 Ru1",
"formula_reduced": "Ba4TlRu",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.6760494966666667,
"spacegroup": 216
},
{
"id": "jvasp-64799",
"created_at": "2022-09-04T14:37:51.859422Z",
"updated_at": "2022-09-04T14:37:51.859440Z",
"structure_string": "Ba4 Tl1 Sb1\n1.0\n0.000000 5.006087 5.006087\n5.006087 0.000000 5.006087\n5.006087 5.006087 0.000000\nBa Tl Sb\n4 1 1\ndirect\n0.128520 0.623827 0.623827 Ba\n0.623827 0.623827 0.623827 Ba\n0.623827 0.128520 0.623827 Ba\n0.623827 0.623827 0.128520 Ba\n0.000000 0.000000 0.000000 Tl\n0.250000 0.250000 0.250000 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Tl",
"Sb"
],
"chemical_system": "Ba-Sb-Tl",
"density": 5.793698821059598,
"density_atomic": 0.02391256018480367,
"volume": 250.9141619981358,
"volume_molar": 25.184006703836943,
"formula_full": "Ba4 Tl1 Sb1",
"formula_reduced": "Ba4TlSb",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0471203233333333,
"spacegroup": 216
},
{
"id": "jvasp-64177",
"created_at": "2022-09-04T14:36:18.239376Z",
"updated_at": "2022-09-04T14:36:18.239397Z",
"structure_string": "Ba4 Tl1 Se1\n1.0\n-0.000000 4.970457 4.970457\n4.970457 -0.000000 4.970457\n4.970457 4.970457 0.000000\nBa Tl Se\n4 1 1\ndirect\n0.128032 0.623990 0.623990 Ba\n0.623990 0.623990 0.623990 Ba\n0.623990 0.128032 0.623990 Ba\n0.623990 0.623990 0.128032 Ba\n0.000000 0.000000 0.000000 Tl\n0.250000 0.250000 0.250000 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Tl",
"Se"
],
"chemical_system": "Ba-Se-Tl",
"density": 5.629804361828805,
"density_atomic": 0.024430496413020444,
"volume": 245.59468209586802,
"volume_molar": 24.650095758146154,
"formula_full": "Ba4 Tl1 Se1",
"formula_reduced": "Ba4TlSe",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0017113183333333,
"spacegroup": 216
},
{
"id": "jvasp-64124",
"created_at": "2022-09-04T14:36:11.297992Z",
"updated_at": "2022-09-04T14:36:11.298013Z",
"structure_string": "Ba4 Tl1 Si1\n1.0\n0.000000 4.961197 4.961197\n4.961197 0.000000 4.961197\n4.961197 4.961197 0.000000\nBa Tl Si\n4 1 1\ndirect\n0.127690 0.624103 0.624103 Ba\n0.624103 0.624103 0.624103 Ba\n0.624103 0.127690 0.624103 Ba\n0.624103 0.624103 0.127690 Ba\n0.000000 0.000000 0.000000 Tl\n0.250000 0.250000 0.250000 Si\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Tl",
"Si"
],
"chemical_system": "Ba-Si-Tl",
"density": 5.315479685642935,
"density_atomic": 0.024567549370811063,
"volume": 244.22460333502602,
"volume_molar": 24.51258230564487,
"formula_full": "Ba4 Tl1 Si1",
"formula_reduced": "Ba4TlSi",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.3508491799999999,
"spacegroup": 216
},
{
"id": "jvasp-66644",
"created_at": "2022-09-04T14:35:46.841811Z",
"updated_at": "2022-09-04T14:35:46.841836Z",
"structure_string": "Ba4 Tl1 Tc1\n1.0\n0.000000 4.831551 4.831551\n4.831551 -0.000000 4.831551\n4.831551 4.831551 -0.000000\nBa Tl Tc\n4 1 1\ndirect\n0.126833 0.624388 0.624388 Ba\n0.624388 0.624388 0.624388 Ba\n0.624388 0.126833 0.624388 Ba\n0.624388 0.624388 0.126833 Ba\n0.000000 0.000000 0.000000 Tl\n0.250000 0.250000 0.250000 Tc\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Tl",
"Tc"
],
"chemical_system": "Ba-Tc-Tl",
"density": 6.269625618222311,
"density_atomic": 0.026598769764456662,
"volume": 225.57434246517917,
"volume_molar": 22.640674036162572,
"formula_full": "Ba4 Tl1 Tc1",
"formula_reduced": "Ba4TlTc",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.8775446633333331,
"spacegroup": 216
},
{
"id": "jvasp-64379",
"created_at": "2022-09-04T14:35:47.778460Z",
"updated_at": "2022-09-04T14:35:47.778482Z",
"structure_string": "Ba4 Tl1 Te1\n1.0\n-0.000000 5.030489 5.030489\n5.030489 -0.000000 5.030489\n5.030489 5.030489 0.000000\nBa Tl Te\n4 1 1\ndirect\n0.127783 0.624072 0.624072 Ba\n0.624072 0.624072 0.624072 Ba\n0.624072 0.127783 0.624072 Ba\n0.624072 0.624072 0.127783 Ba\n0.000000 0.000000 0.000000 Tl\n0.250000 0.250000 0.250000 Te\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Tl",
"Te"
],
"chemical_system": "Ba-Te-Tl",
"density": 5.747883718038621,
"density_atomic": 0.023566258852733113,
"volume": 254.6012940575057,
"volume_molar": 25.554080508207512,
"formula_full": "Ba4 Tl1 Te1",
"formula_reduced": "Ba4TlTe",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0401369899999999,
"spacegroup": 216
},
{
"id": "jvasp-64113",
"created_at": "2022-09-04T14:36:03.998523Z",
"updated_at": "2022-09-04T14:36:03.998543Z",
"structure_string": "Ba4 Tl1 V1\n1.0\n-0.000000 4.963438 4.963438\n4.963438 0.000000 4.963438\n4.963438 4.963438 0.000000\nBa Tl V\n4 1 1\ndirect\n0.124923 0.625026 0.625026 Ba\n0.625026 0.625026 0.625026 Ba\n0.625026 0.124923 0.625026 Ba\n0.625026 0.625026 0.124923 Ba\n0.250000 0.250000 0.250000 Tl\n0.000000 0.000000 0.000000 V\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Tl",
"V"
],
"chemical_system": "Ba-Tl-V",
"density": 5.46347587820869,
"density_atomic": 0.024534287532504896,
"volume": 244.55570564463068,
"volume_molar": 24.54581471755154,
"formula_full": "Ba4 Tl1 V1",
"formula_reduced": "Ba4TlV",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.6672101133333334,
"spacegroup": 216
},
{
"id": "jvasp-66425",
"created_at": "2022-09-04T14:35:59.884375Z",
"updated_at": "2022-09-04T14:35:59.884401Z",
"structure_string": "Ba4 Tl1 W1\n1.0\n-0.000000 4.830809 4.830809\n4.830809 0.000000 4.830809\n4.830809 4.830809 0.000000\nBa Tl W\n4 1 1\ndirect\n0.123245 0.625585 0.625585 Ba\n0.625585 0.625585 0.625585 Ba\n0.625585 0.123245 0.625585 Ba\n0.625585 0.625585 0.123245 Ba\n0.250000 0.250000 0.250000 Tl\n0.000000 0.000000 0.000000 W\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Tl",
"W"
],
"chemical_system": "Ba-Tl-W",
"density": 6.904707370313211,
"density_atomic": 0.026611028157676537,
"volume": 225.47043144851838,
"volume_molar": 22.630244590015142,
"formula_full": "Ba4 Tl1 W1",
"formula_reduced": "Ba4TlW",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.3629877466666669,
"spacegroup": 216
},
{
"id": "jvasp-64862",
"created_at": "2022-09-04T14:35:44.503988Z",
"updated_at": "2022-09-04T14:35:44.504018Z",
"structure_string": "Ba4 Tl1 Zn1\n1.0\n0.000000 5.073173 5.073173\n5.073173 -0.000000 5.073173\n5.073173 5.073173 0.000000\nBa Tl Zn\n4 1 1\ndirect\n0.126026 0.624658 0.624658 Ba\n0.624658 0.624658 0.624658 Ba\n0.624658 0.126026 0.624658 Ba\n0.624658 0.624658 0.126026 Ba\n0.250000 0.250000 0.250000 Tl\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Tl",
"Zn"
],
"chemical_system": "Ba-Tl-Zn",
"density": 5.20855398120386,
"density_atomic": 0.022976413444146717,
"volume": 261.1373622164912,
"volume_molar": 26.210099216046935,
"formula_full": "Ba4 Tl1 Zn1",
"formula_reduced": "Ba4TlZn",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-98262",
"created_at": "2022-09-04T14:35:52.126431Z",
"updated_at": "2022-09-04T14:35:52.126452Z",
"structure_string": "Ba4 Tl2 Cu2 Hg1 O10\n1.0\n3.877537 -0.000000 -0.353030\n-0.032141 3.877404 -0.353030\n0.026976 0.027200 21.767455\nBa Tl Cu Hg O\n4 2 2 1 10\ndirect\n0.341826 0.341825 0.683650 Ba\n0.568382 0.568380 0.136762 Ba\n0.431621 0.431619 0.863238 Ba\n0.658176 0.658174 0.316350 Ba\n0.223567 0.223566 0.447133 Tl\n0.776435 0.776433 0.552868 Tl\n0.113623 0.113622 0.227245 Cu\n0.886380 0.886377 0.772756 Cu\n0.000000 0.000000 0.000000 Hg\n0.272100 0.272099 0.544199 O\n0.387271 0.887269 0.774540 O\n0.112731 0.612730 0.225460 O\n0.823811 0.823809 0.647619 O\n0.887272 0.387270 0.774540 O\n0.727902 0.727900 0.455801 O\n0.953316 0.953313 0.906628 O\n0.176191 0.176190 0.352381 O\n0.046686 0.046686 0.093372 O\n0.612731 0.112730 0.225460 O\n",
"nsites": 19,
"nelements": 5,
"elements": [
"Ba",
"Tl",
"Cu",
"Hg",
"O"
],
"chemical_system": "Ba-Cu-Hg-O-Tl",
"density": 7.333967967172406,
"density_atomic": 0.05804303739629901,
"volume": 327.34331027982165,
"volume_molar": 10.37530258604969,
"formula_full": "Ba4 Tl2 Cu2 Hg1 O10",
"formula_reduced": "Ba4Tl2Cu2HgO10",
"formula_anonymous": "AB2C2D4E10",
"energy_above_hull": 1.1931489252631582,
"spacegroup": 139
}
]
}