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_anonymous&page=398",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=396",
"results": [
{
"id": "jvasp-62921",
"created_at": "2022-09-04T14:36:06.228407Z",
"updated_at": "2022-09-04T14:36:06.228434Z",
"structure_string": "Li2 B2 H8\n1.0\n2.093325 -3.625662 0.000000\n2.093325 3.625662 0.000000\n0.000000 0.000000 7.180402\nLi B H\n2 2 8\ndirect\n0.333319 0.666683 0.110408 Li\n0.666683 0.333319 0.610408 Li\n0.333340 0.666662 0.536370 B\n0.666662 0.333340 0.036370 B\n0.333272 0.666731 0.366686 H\n0.666731 0.333272 0.866686 H\n0.174720 0.349364 0.593815 H\n0.650639 0.825283 0.593815 H\n0.174720 0.825282 0.593904 H\n0.825283 0.650639 0.093815 H\n0.349364 0.174720 0.093815 H\n0.825282 0.174720 0.093904 H\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"B",
"H"
],
"chemical_system": "B-H-Li",
"density": 0.6637571416286367,
"density_atomic": 0.11009776839418724,
"volume": 108.99403480219456,
"volume_molar": 5.469811829826288,
"formula_full": "Li2 B2 H8",
"formula_reduced": "LiBH4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.801768763888889,
"spacegroup": 186
},
{
"id": "jvasp-64699",
"created_at": "2022-09-04T14:36:07.310453Z",
"updated_at": "2022-09-04T14:36:07.310481Z",
"structure_string": "Ba4 Ga1 Br1\n1.0\n0.000000 5.054454 5.054454\n5.054454 0.000000 5.054454\n5.054454 5.054454 -0.000000\nBa Ga Br\n4 1 1\ndirect\n0.124169 0.625277 0.625277 Ba\n0.625277 0.625277 0.625277 Ba\n0.625277 0.124169 0.625277 Ba\n0.625277 0.625277 0.124169 Ba\n0.000000 0.000000 0.000000 Ga\n0.250000 0.250000 0.250000 Br\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ga",
"Br"
],
"chemical_system": "Ba-Br-Ga",
"density": 4.494000799308091,
"density_atomic": 0.02323263713936638,
"volume": 258.25738008163273,
"volume_molar": 25.921038252673544,
"formula_full": "Ba4 Ga1 Br1",
"formula_reduced": "Ba4GaBr",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-64905",
"created_at": "2022-09-04T14:36:05.290253Z",
"updated_at": "2022-09-04T14:36:05.290278Z",
"structure_string": "Be1 Co4 Tc1\n1.0\n-0.000000 3.221973 3.221973\n3.221973 0.000000 3.221973\n3.221973 3.221973 0.000000\nBe Co Tc\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.122410 0.625863 0.625863 Co\n0.625863 0.625863 0.625863 Co\n0.625863 0.122410 0.625863 Co\n0.625863 0.625863 0.122410 Co\n0.250000 0.250000 0.250000 Tc\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Be",
"Co",
"Tc"
],
"chemical_system": "Be-Co-Tc",
"density": 8.507941429003175,
"density_atomic": 0.0896923833663797,
"volume": 66.895312342085,
"volume_molar": 6.7142164518033525,
"formula_full": "Be1 Co4 Tc1",
"formula_reduced": "BeCo4Tc",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.8128368666666654,
"spacegroup": 216
},
{
"id": "jvasp-65158",
"created_at": "2022-09-04T14:36:03.817265Z",
"updated_at": "2022-09-04T14:36:03.817299Z",
"structure_string": "Be1 Tl1 Cu4\n1.0\n0.000000 3.489133 3.489133\n3.489133 0.000000 3.489133\n3.489133 3.489133 -0.000000\nBe Tl Cu\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Tl\n0.122058 0.625980 0.625980 Cu\n0.625980 0.625980 0.625980 Cu\n0.625980 0.122058 0.625980 Cu\n0.625980 0.625980 0.122058 Cu\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Be",
"Tl",
"Cu"
],
"chemical_system": "Be-Cu-Tl",
"density": 9.139490257616997,
"density_atomic": 0.07062666213190075,
"volume": 84.9537528588642,
"volume_molar": 8.526724296772212,
"formula_full": "Be1 Tl1 Cu4",
"formula_reduced": "BeTlCu4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-64284",
"created_at": "2022-09-04T14:36:06.175411Z",
"updated_at": "2022-09-04T14:36:06.175430Z",
"structure_string": "K1 Ba4 W1\n1.0\n-0.000000 5.046597 5.046597\n5.046597 -0.000000 5.046597\n5.046597 5.046597 -0.000000\nK Ba W\n1 4 1\ndirect\n0.250000 0.250000 0.250000 K\n0.117542 0.627487 0.627487 Ba\n0.627487 0.627487 0.627487 Ba\n0.627487 0.117542 0.627487 Ba\n0.627487 0.627487 0.117542 Ba\n0.000000 0.000000 0.000000 W\n",
"nsites": 6,
"nelements": 3,
"elements": [
"K",
"Ba",
"W"
],
"chemical_system": "Ba-K-W",
"density": 4.988604365328786,
"density_atomic": 0.023341318199394924,
"volume": 257.05489076257646,
"volume_molar": 25.800345586977656,
"formula_full": "K1 Ba4 W1",
"formula_reduced": "KBa4W",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.32757698,
"spacegroup": 216
},
{
"id": "jvasp-69093",
"created_at": "2022-09-04T14:36:03.825594Z",
"updated_at": "2022-09-04T14:36:03.825620Z",
"structure_string": "Ba1 Hf4 Cu1\n1.0\n0.000000 4.218429 4.218429\n4.218429 -0.000000 4.218429\n4.218429 4.218429 0.000000\nBa Hf Cu\n1 4 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.123433 0.625523 0.625523 Hf\n0.625523 0.625523 0.625523 Hf\n0.625523 0.123433 0.625523 Hf\n0.625523 0.625523 0.123433 Hf\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Hf",
"Cu"
],
"chemical_system": "Ba-Cu-Hf",
"density": 10.118326569083683,
"density_atomic": 0.039964006682570885,
"volume": 150.13509650464357,
"volume_molar": 15.068911402785796,
"formula_full": "Ba1 Hf4 Cu1",
"formula_reduced": "BaHf4Cu",
"formula_anonymous": "ABC4",
"energy_above_hull": 4.058873069999999,
"spacegroup": 216
},
{
"id": "jvasp-64116",
"created_at": "2022-09-04T14:36:06.188801Z",
"updated_at": "2022-09-04T14:36:06.188823Z",
"structure_string": "Ba4 Hf1 Mn1\n1.0\n0.000000 4.972974 4.972974\n4.972974 0.000000 4.972974\n4.972974 4.972974 0.000000\nBa Hf Mn\n4 1 1\ndirect\n0.125445 0.624851 0.624851 Ba\n0.624851 0.624851 0.624851 Ba\n0.624851 0.125445 0.624851 Ba\n0.624851 0.624851 0.125445 Ba\n0.250000 0.250000 0.250000 Hf\n0.000000 0.000000 0.000000 Mn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Hf",
"Mn"
],
"chemical_system": "Ba-Hf-Mn",
"density": 5.284280581329065,
"density_atomic": 0.02439341974120701,
"volume": 245.96797266044643,
"volume_molar": 24.68756256355067,
"formula_full": "Ba4 Hf1 Mn1",
"formula_reduced": "Ba4HfMn",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.807507353563218,
"spacegroup": 216
},
{
"id": "jvasp-64559",
"created_at": "2022-09-04T14:36:05.335487Z",
"updated_at": "2022-09-04T14:36:05.335506Z",
"structure_string": "Ba4 Zr1 Sb1\n1.0\n0.000000 4.986411 4.986411\n4.986411 0.000000 4.986411\n4.986411 4.986411 -0.000000\nBa Zr Sb\n4 1 1\ndirect\n0.127157 0.624280 0.624280 Ba\n0.624280 0.624280 0.624280 Ba\n0.624280 0.127157 0.624280 Ba\n0.624280 0.624280 0.127157 Ba\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Zr",
"Sb"
],
"chemical_system": "Ba-Sb-Zr",
"density": 5.1047708072021285,
"density_atomic": 0.02419675008458729,
"volume": 247.96718480891556,
"volume_molar": 24.88822151300372,
"formula_full": "Ba4 Zr1 Sb1",
"formula_reduced": "Ba4ZrSb",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.99514908,
"spacegroup": 216
},
{
"id": "jvasp-64758",
"created_at": "2022-09-04T14:36:06.871462Z",
"updated_at": "2022-09-04T14:36:06.871481Z",
"structure_string": "Ba4 Li1 V1\n1.0\n-0.000000 5.076868 5.076868\n5.076868 0.000000 5.076868\n5.076868 5.076868 0.000000\nBa Li V\n4 1 1\ndirect\n0.122054 0.625983 0.625983 Ba\n0.625983 0.625983 0.625983 Ba\n0.625983 0.122054 0.625983 Ba\n0.625983 0.625983 0.122054 Ba\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 V\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Li",
"V"
],
"chemical_system": "Ba-Li-V",
"density": 3.8526224810311196,
"density_atomic": 0.02292628249347868,
"volume": 261.7083690609973,
"volume_molar": 26.267410609255915,
"formula_full": "Ba4 Li1 V1",
"formula_reduced": "Ba4LiV",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.93386968,
"spacegroup": 216
},
{
"id": "jvasp-68948",
"created_at": "2022-09-04T14:36:06.878334Z",
"updated_at": "2022-09-04T14:36:06.878347Z",
"structure_string": "Ba1 Fe1 Hg4\n1.0\n0.000000 4.323376 4.323376\n4.323376 -0.000000 4.323376\n4.323376 4.323376 -0.000000\nBa Fe Hg\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Fe\n0.122167 0.625945 0.625945 Hg\n0.625945 0.625945 0.625945 Hg\n0.625945 0.122167 0.625945 Hg\n0.625945 0.625945 0.122167 Hg\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Fe",
"Hg"
],
"chemical_system": "Ba-Fe-Hg",
"density": 10.228343488579808,
"density_atomic": 0.03712378361588185,
"volume": 161.62145707134096,
"volume_molar": 16.221786071998544,
"formula_full": "Ba1 Fe1 Hg4",
"formula_reduced": "BaFeHg4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-64029",
"created_at": "2022-09-04T14:36:07.163638Z",
"updated_at": "2022-09-04T14:36:07.163657Z",
"structure_string": "Ba4 Ti1 Ni1\n1.0\n0.000000 4.917054 4.917054\n4.917054 -0.000000 4.917054\n4.917054 4.917054 -0.000000\nBa Ti Ni\n4 1 1\ndirect\n0.126482 0.624505 0.624505 Ba\n0.624505 0.624505 0.624505 Ba\n0.624505 0.126482 0.624505 Ba\n0.624505 0.624505 0.126482 Ba\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.250000 Ni\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ti",
"Ni"
],
"chemical_system": "Ba-Ni-Ti",
"density": 4.58058424794436,
"density_atomic": 0.02523517502629409,
"volume": 237.76335982406417,
"volume_molar": 23.864073673850726,
"formula_full": "Ba4 Ti1 Ni1",
"formula_reduced": "Ba4TiNi",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.9136357688888888,
"spacegroup": 216
},
{
"id": "jvasp-107747",
"created_at": "2022-09-04T14:38:47.888426Z",
"updated_at": "2022-09-04T14:38:47.888451Z",
"structure_string": "Na1 In1 Sn4\n1.0\n5.866872 -0.071832 -1.525722\n-3.522106 4.692560 -1.525722\n0.036451 0.071832 6.061905\nNa In Sn\n1 1 4\ndirect\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 In\n0.603167 0.103167 0.206334 Sn\n0.896832 0.396833 0.793666 Sn\n0.396832 0.603167 0.500000 Sn\n0.103166 0.896833 0.500000 Sn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Na",
"In",
"Sn"
],
"chemical_system": "In-Na-Sn",
"density": 6.104619642103286,
"density_atomic": 0.03600392978848123,
"volume": 166.64847518727208,
"volume_molar": 16.726342916952,
"formula_full": "Na1 In1 Sn4",
"formula_reduced": "NaInSn4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.2074734083333334,
"spacegroup": 97
}
]
}