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=425",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_full&page=423",
"results": [
{
"id": "jvasp-64462",
"created_at": "2022-09-04T14:35:56.479224Z",
"updated_at": "2022-09-04T14:35:56.479248Z",
"structure_string": "Ba4 Hf1 Tl1\n1.0\n0.000000 5.007580 5.007580\n5.007580 -0.000000 5.007580\n5.007580 5.007580 0.000000\nBa Hf Tl\n4 1 1\ndirect\n0.125028 0.624990 0.624990 Ba\n0.624990 0.624990 0.624990 Ba\n0.624990 0.125028 0.624990 Ba\n0.624990 0.624990 0.125028 Ba\n0.250000 0.250000 0.250000 Hf\n0.000000 0.000000 0.000000 Tl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Hf",
"Tl"
],
"chemical_system": "Ba-Hf-Tl",
"density": 6.163619204872668,
"density_atomic": 0.023891178114564024,
"volume": 251.138724563039,
"volume_molar": 25.206545826758177,
"formula_full": "Ba4 Hf1 Tl1",
"formula_reduced": "Ba4HfTl",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.8335915799999999,
"spacegroup": 216
},
{
"id": "jvasp-64112",
"created_at": "2022-09-04T14:36:03.061515Z",
"updated_at": "2022-09-04T14:36:03.061544Z",
"structure_string": "Ba4 Hf1 V1\n1.0\n-0.000000 4.833583 4.833583\n4.833583 0.000000 4.833583\n4.833583 4.833583 0.000000\nBa Hf V\n4 1 1\ndirect\n0.124668 0.625111 0.625111 Ba\n0.625111 0.625111 0.625111 Ba\n0.625111 0.124668 0.625111 Ba\n0.625111 0.625111 0.124668 Ba\n0.250000 0.250000 0.250000 Hf\n0.000000 0.000000 0.000000 V\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Hf",
"V"
],
"chemical_system": "Ba-Hf-V",
"density": 5.7253727190328725,
"density_atomic": 0.02656523812858736,
"volume": 225.85907082621952,
"volume_molar": 22.66925194063839,
"formula_full": "Ba4 Hf1 V1",
"formula_reduced": "Ba4HfV",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.877813513333333,
"spacegroup": 216
},
{
"id": "jvasp-66231",
"created_at": "2022-09-04T14:36:13.189129Z",
"updated_at": "2022-09-04T14:36:13.189155Z",
"structure_string": "Ba4 Hf1 W1\n1.0\n-0.000000 4.718553 4.718553\n4.718553 0.000000 4.718553\n4.718553 4.718553 -0.000000\nBa Hf W\n4 1 1\ndirect\n0.123785 0.625405 0.625405 Ba\n0.625405 0.625405 0.625405 Ba\n0.625405 0.123785 0.625405 Ba\n0.625405 0.625405 0.123785 Ba\n0.250000 0.250000 0.250000 Hf\n0.000000 0.000000 0.000000 W\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Hf",
"W"
],
"chemical_system": "Ba-Hf-W",
"density": 7.204685188802654,
"density_atomic": 0.028555826997196644,
"volume": 210.1147342218114,
"volume_molar": 21.08900842056229,
"formula_full": "Ba4 Hf1 W1",
"formula_reduced": "Ba4HfW",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.5678961466666665,
"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-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-119432",
"created_at": "2022-09-04T14:38:33.249365Z",
"updated_at": "2022-09-04T14:38:33.249397Z",
"structure_string": "Ba4 Hf3 S10\n1.0\n4.936476 0.000947 -17.487658\n-0.093695 4.935587 -17.487658\n-0.000929 -0.000947 18.171048\nBa Hf S\n4 3 10\ndirect\n0.432237 0.432237 0.000000 Ba\n0.567763 0.567764 0.000001 Ba\n0.299861 0.299862 0.000000 Ba\n0.700139 0.700140 0.000001 Ba\n0.000000 0.000000 0.000000 Hf\n0.857620 0.857621 0.000001 Hf\n0.142380 0.142380 0.000000 Hf\n0.138698 0.638699 0.500000 S\n0.361301 0.861302 0.500000 S\n-0.000001 0.500000 0.499999 S\n0.500000 -0.000000 0.500000 S\n0.070263 0.070263 0.000000 S\n0.787587 0.787588 0.000001 S\n0.638699 0.138699 0.500000 S\n0.929737 0.929739 0.000001 S\n0.212413 0.212413 0.000000 S\n0.861301 0.361302 0.500001 S\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Ba",
"Hf",
"S"
],
"chemical_system": "Ba-Hf-S",
"density": 5.273278249128945,
"density_atomic": 0.03841244134853429,
"volume": 442.5649451892667,
"volume_molar": 15.677578796302642,
"formula_full": "Ba4 Hf3 S10",
"formula_reduced": "Ba4Hf3S10",
"formula_anonymous": "A3B4C10",
"energy_above_hull": 2.41475664,
"spacegroup": 139
},
{
"id": "jvasp-36933",
"created_at": "2022-09-04T14:38:35.183031Z",
"updated_at": "2022-09-04T14:38:35.183057Z",
"structure_string": "Ba4 Hf4 S12\n1.0\n3.869058 0.000000 0.000000\n-0.000000 8.718955 0.000000\n0.000000 0.000000 14.444372\nBa Hf S\n4 4 12\ndirect\n0.750000 0.068077 0.325961 Ba\n0.250000 0.931923 0.674039 Ba\n0.750000 0.568077 0.174039 Ba\n0.250000 0.431923 0.825961 Ba\n0.250000 0.163174 0.059381 Hf\n0.750000 0.836827 0.940619 Hf\n0.250000 0.663174 0.440619 Hf\n0.750000 0.336826 0.559381 Hf\n0.750000 0.715550 0.789304 S\n0.250000 0.284450 0.210696 S\n0.750000 0.476696 0.396903 S\n0.250000 0.523305 0.603097 S\n0.750000 0.976696 0.103097 S\n0.250000 0.672555 0.003816 S\n0.250000 0.172555 0.496184 S\n0.750000 0.827445 0.503816 S\n0.250000 0.784450 0.289304 S\n0.750000 0.327445 0.996183 S\n0.250000 0.023305 0.896903 S\n0.750000 0.215550 0.710696 S\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ba",
"Hf",
"S"
],
"chemical_system": "Ba-Hf-S",
"density": 5.6163040726870035,
"density_atomic": 0.04104513180243613,
"volume": 487.26850473441414,
"volume_molar": 14.671997617126841,
"formula_full": "Ba4 Hf4 S12",
"formula_reduced": "BaHfS3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.922889794,
"spacegroup": 62
},
{
"id": "jvasp-64337",
"created_at": "2022-09-04T14:36:01.840206Z",
"updated_at": "2022-09-04T14:36:01.840231Z",
"structure_string": "Ba4 Hg1 Bi1\n1.0\n-0.000000 5.039231 5.039231\n5.039231 0.000000 5.039231\n5.039231 5.039231 -0.000000\nBa Hg Bi\n4 1 1\ndirect\n0.128598 0.623801 0.623801 Ba\n0.623801 0.623801 0.623801 Ba\n0.623801 0.128598 0.623801 Ba\n0.623801 0.623801 0.128598 Ba\n0.000000 0.000000 0.000000 Hg\n0.250000 0.250000 0.250000 Bi\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Hg",
"Bi"
],
"chemical_system": "Ba-Bi-Hg",
"density": 6.221424518974572,
"density_atomic": 0.02344382407232932,
"volume": 255.93094289944713,
"volume_molar": 25.68753604966655,
"formula_full": "Ba4 Hg1 Bi1",
"formula_reduced": "Ba4HgBi",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0262186566666666,
"spacegroup": 216
},
{
"id": "jvasp-64194",
"created_at": "2022-09-04T14:38:13.021285Z",
"updated_at": "2022-09-04T14:38:13.021298Z",
"structure_string": "Ba4 Hg1 Ge1\n1.0\n0.000000 4.959357 4.959357\n4.959357 0.000000 4.959357\n4.959357 4.959357 0.000000\nBa Hg Ge\n4 1 1\ndirect\n0.127811 0.624064 0.624064 Ba\n0.624064 0.624064 0.624064 Ba\n0.624064 0.127811 0.624064 Ba\n0.624064 0.624064 0.127811 Ba\n0.000000 0.000000 0.000000 Hg\n0.250000 0.250000 0.250000 Ge\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Hg",
"Ge"
],
"chemical_system": "Ba-Ge-Hg",
"density": 5.598851595499986,
"density_atomic": 0.02459490436729007,
"volume": 243.95297133091051,
"volume_molar": 24.485318869583125,
"formula_full": "Ba4 Hg1 Ge1",
"formula_reduced": "Ba4HgGe",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-66474",
"created_at": "2022-09-04T14:36:16.433008Z",
"updated_at": "2022-09-04T14:36:16.433029Z",
"structure_string": "Ba4 Hg1 Ir1\n1.0\n0.000000 4.765665 4.765665\n4.765665 0.000000 4.765665\n4.765665 4.765665 0.000000\nBa Hg Ir\n4 1 1\ndirect\n0.122256 0.625915 0.625915 Ba\n0.625915 0.625915 0.625915 Ba\n0.625915 0.122256 0.625915 Ba\n0.625915 0.625915 0.122256 Ba\n0.250000 0.250000 0.250000 Hg\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Hg",
"Ir"
],
"chemical_system": "Ba-Hg-Ir",
"density": 7.226907376081732,
"density_atomic": 0.027717287269571036,
"volume": 216.47140074155095,
"volume_molar": 21.727020762999807,
"formula_full": "Ba4 Hg1 Ir1",
"formula_reduced": "Ba4HgIr",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.4840815966666665,
"spacegroup": 216
},
{
"id": "jvasp-66105",
"created_at": "2022-09-04T14:35:57.140008Z",
"updated_at": "2022-09-04T14:35:57.140032Z",
"structure_string": "Ba4 Hg1 Mo1\n1.0\n0.000000 4.959475 4.959475\n4.959475 0.000000 4.959475\n4.959475 4.959475 -0.000000\nBa Hg Mo\n4 1 1\ndirect\n0.125121 0.624960 0.624960 Ba\n0.624960 0.624960 0.624960 Ba\n0.624960 0.125121 0.624960 Ba\n0.624960 0.624960 0.125121 Ba\n0.250000 0.250000 0.250000 Hg\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Hg",
"Mo"
],
"chemical_system": "Ba-Hg-Mo",
"density": 5.757039085216765,
"density_atomic": 0.0245931488611139,
"volume": 243.97038516231063,
"volume_molar": 24.4870666786475,
"formula_full": "Ba4 Hg1 Mo1",
"formula_reduced": "Ba4HgMo",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.7827023966666664,
"spacegroup": 216
},
{
"id": "jvasp-66492",
"created_at": "2022-09-04T14:35:51.119348Z",
"updated_at": "2022-09-04T14:35:51.119374Z",
"structure_string": "Ba4 Hg1 Os1\n1.0\n0.000000 4.746516 4.746516\n4.746516 -0.000000 4.746516\n4.746516 4.746516 -0.000000\nBa Hg Os\n4 1 1\ndirect\n0.122454 0.625849 0.625849 Ba\n0.625849 0.625849 0.625849 Ba\n0.625849 0.122454 0.625849 Ba\n0.625849 0.625849 0.122454 Ba\n0.250000 0.250000 0.250000 Hg\n0.000000 0.000000 0.000000 Os\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Hg",
"Os"
],
"chemical_system": "Ba-Hg-Os",
"density": 7.299300477024239,
"density_atomic": 0.02805410429475509,
"volume": 213.8724493557166,
"volume_molar": 21.466166578434947,
"formula_full": "Ba4 Hg1 Os1",
"formula_reduced": "Ba4HgOs",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.7825739133333334,
"spacegroup": 216
}
]
}