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=-chemical_system&page=3830",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=3828",
"results": [
{
"id": "jvasp-34379",
"created_at": "2022-09-04T14:38:29.786259Z",
"updated_at": "2022-09-04T14:38:29.786287Z",
"structure_string": "Ba6 Hf5 S16\n1.0\n4.965876 0.005309 -0.442689\n-0.044797 4.965678 -0.442689\n-0.005258 -0.005313 28.019596\nBa Hf S\n6 5 16\ndirect\n0.717911 0.717913 0.435840 Ba\n0.367313 0.367314 0.734642 Ba\n0.544432 0.544432 0.088903 Ba\n0.632687 0.632688 0.265358 Ba\n0.455568 0.455569 0.911097 Ba\n0.282089 0.282089 0.564160 Ba\n0.090220 0.090220 0.180481 Hf\n0.181201 0.181201 0.362403 Hf\n0.818799 0.818800 0.637597 Hf\n0.000000 0.000000 0.000000 Hf\n0.909780 0.909781 0.819519 Hf\n-0.000000 0.500000 -0.000000 S\n0.089589 0.589589 0.179191 S\n0.226012 0.226013 0.451913 S\n0.865051 0.865052 0.730174 S\n0.134949 0.134949 0.269826 S\n0.589589 0.089590 0.179191 S\n0.821343 0.321311 0.642624 S\n0.678690 0.178658 0.357377 S\n0.321309 0.821343 0.642624 S\n0.910411 0.410412 0.820809 S\n0.410410 0.910412 0.820809 S\n0.044954 0.044953 0.089908 S\n0.955046 0.955048 0.910092 S\n0.773988 0.773989 0.548087 S\n0.178657 0.678691 0.357377 S\n0.500000 0.000000 -0.000000 S\n",
"nsites": 27,
"nelements": 3,
"elements": [
"Ba",
"Hf",
"S"
],
"chemical_system": "Ba-Hf-S",
"density": 5.358230674675099,
"density_atomic": 0.03907850551086309,
"volume": 690.9169029633057,
"volume_molar": 15.410366085586253,
"formula_full": "Ba6 Hf5 S16",
"formula_reduced": "Ba6Hf5S16",
"formula_anonymous": "A5B6C16",
"energy_above_hull": 2.595284104444444,
"spacegroup": 139
},
{
"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-2952",
"created_at": "2022-09-04T14:36:52.413779Z",
"updated_at": "2022-09-04T14:36:52.413801Z",
"structure_string": "Ba2 Hf1 S4\n1.0\n4.742363 -0.000000 -1.384179\n-0.404008 4.725122 -1.384179\n-0.047539 -0.051777 8.653161\nBa Hf S\n2 1 4\ndirect\n0.357697 0.357698 0.715397 Ba\n0.642301 0.642301 0.284602 Ba\n0.000000 0.000000 0.000000 Hf\n-0.000000 0.500000 -0.000000 S\n0.500000 -0.000000 -0.000000 S\n0.837756 0.837757 0.675513 S\n0.162242 0.162242 0.324486 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ba",
"Hf",
"S"
],
"chemical_system": "Ba-Hf-S",
"density": 4.996543578999559,
"density_atomic": 0.03622768699497349,
"volume": 193.22238267574838,
"volume_molar": 16.623034092227744,
"formula_full": "Ba2 Hf1 S4",
"formula_reduced": "Ba2HfS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.7492064199999997,
"spacegroup": 139
},
{
"id": "jvasp-65504",
"created_at": "2022-09-04T14:35:54.086317Z",
"updated_at": "2022-09-04T14:35:54.086343Z",
"structure_string": "Ba1 Hf2 Ru1\n1.0\n3.331581 -0.000000 0.000000\n-0.000000 3.332805 0.000000\n0.000000 0.000000 8.952815\nBa Hf Ru\n1 2 1\ndirect\n0.500000 0.499999 0.000000 Ba\n0.000000 0.000000 0.665493 Hf\n0.000000 0.000000 0.334508 Hf\n0.500000 0.499999 0.500000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Hf",
"Ru"
],
"chemical_system": "Ba-Hf-Ru",
"density": 9.945377208772882,
"density_atomic": 0.04023834409674795,
"volume": 99.40766922173813,
"volume_molar": 14.96617441692067,
"formula_full": "Ba1 Hf2 Ru1",
"formula_reduced": "BaHf2Ru",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.804910617500001,
"spacegroup": 123
},
{
"id": "jvasp-66304",
"created_at": "2022-09-04T14:36:03.946874Z",
"updated_at": "2022-09-04T14:36:03.946892Z",
"structure_string": "Ba4 Hf1 Rh1\n1.0\n0.000000 4.816868 4.816868\n4.816868 -0.000000 4.816868\n4.816868 4.816868 0.000000\nBa Hf Rh\n4 1 1\ndirect\n0.122796 0.625735 0.625735 Ba\n0.625735 0.625735 0.625735 Ba\n0.625735 0.122796 0.625735 Ba\n0.625735 0.625735 0.122796 Ba\n0.250000 0.250000 0.250000 Hf\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Hf",
"Rh"
],
"chemical_system": "Ba-Hf-Rh",
"density": 6.171218258831283,
"density_atomic": 0.026842750773199222,
"volume": 223.5240363662959,
"volume_molar": 22.43488683735321,
"formula_full": "Ba4 Hf1 Rh1",
"formula_reduced": "Ba4HfRh",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.555253313333333,
"spacegroup": 216
},
{
"id": "jvasp-66086",
"created_at": "2022-09-04T14:36:15.390456Z",
"updated_at": "2022-09-04T14:36:15.390483Z",
"structure_string": "Ba4 Hf1 Re1\n1.0\n-0.000000 4.696326 4.696326\n4.696326 -0.000000 4.696326\n4.696326 4.696326 0.000000\nBa Hf Re\n4 1 1\ndirect\n0.123433 0.625523 0.625523 Ba\n0.625523 0.625523 0.625523 Ba\n0.625523 0.123433 0.625523 Ba\n0.625523 0.625523 0.123433 Ba\n0.250000 0.250000 0.250000 Hf\n0.000000 0.000000 0.000000 Re\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Hf",
"Re"
],
"chemical_system": "Ba-Hf-Re",
"density": 7.326439447540041,
"density_atomic": 0.028963200182460704,
"volume": 207.15942859219786,
"volume_molar": 20.792387312389735,
"formula_full": "Ba4 Hf1 Re1",
"formula_reduced": "Ba4HfRe",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.382845813333333,
"spacegroup": 216
},
{
"id": "jvasp-66653",
"created_at": "2022-09-04T14:36:06.962746Z",
"updated_at": "2022-09-04T14:36:06.962767Z",
"structure_string": "Ba4 Hf1 Pt1\n1.0\n-0.000000 4.822429 4.822429\n4.822429 0.000000 4.822429\n4.822429 4.822429 0.000000\nBa Hf Pt\n4 1 1\ndirect\n0.122540 0.625821 0.625821 Ba\n0.625821 0.625821 0.625821 Ba\n0.625821 0.122540 0.625821 Ba\n0.625821 0.625821 0.122540 Ba\n0.250000 0.250000 0.250000 Hf\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Hf",
"Pt"
],
"chemical_system": "Ba-Hf-Pt",
"density": 6.832312945282792,
"density_atomic": 0.02674999639417523,
"volume": 224.29909565544804,
"volume_molar": 22.512678772963543,
"formula_full": "Ba4 Hf1 Pt1",
"formula_reduced": "Ba4HfPt",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.471719713333333,
"spacegroup": 216
},
{
"id": "jvasp-64052",
"created_at": "2022-09-04T14:37:52.072355Z",
"updated_at": "2022-09-04T14:37:52.072386Z",
"structure_string": "Ba4 Hf1 Pd1\n1.0\n-0.000000 4.893350 4.893350\n4.893350 -0.000000 4.893350\n4.893350 4.893350 -0.000000\nBa Hf Pd\n4 1 1\ndirect\n0.123641 0.625453 0.625453 Ba\n0.625453 0.625453 0.625453 Ba\n0.625453 0.123641 0.625453 Ba\n0.625453 0.625453 0.123641 Ba\n0.250000 0.250000 0.250000 Hf\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Hf",
"Pd"
],
"chemical_system": "Ba-Hf-Pd",
"density": 5.911256683264878,
"density_atomic": 0.025603681407555735,
"volume": 234.34130055334072,
"volume_molar": 23.520604963561393,
"formula_full": "Ba4 Hf1 Pd1",
"formula_reduced": "Ba4HfPd",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.2939204299999998,
"spacegroup": 216
},
{
"id": "jvasp-64182",
"created_at": "2022-09-04T14:36:20.935015Z",
"updated_at": "2022-09-04T14:36:20.935044Z",
"structure_string": "Ba4 Hf1 Pb1\n1.0\n-0.000000 4.994911 4.994911\n4.994911 0.000000 4.994911\n4.994911 4.994911 -0.000000\nBa Hf Pb\n4 1 1\ndirect\n0.124353 0.625216 0.625216 Ba\n0.625216 0.625216 0.625216 Ba\n0.625216 0.124353 0.625216 Ba\n0.625216 0.625216 0.124353 Ba\n0.250000 0.250000 0.250000 Hf\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Hf",
"Pb"
],
"chemical_system": "Ba-Hf-Pb",
"density": 6.229404335101716,
"density_atomic": 0.024073431025457313,
"volume": 249.23742667404096,
"volume_molar": 25.015714434854225,
"formula_full": "Ba4 Hf1 Pb1",
"formula_reduced": "Ba4HfPb",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.9848112833333332,
"spacegroup": 216
},
{
"id": "jvasp-65785",
"created_at": "2022-09-04T14:36:17.563682Z",
"updated_at": "2022-09-04T14:36:17.563726Z",
"structure_string": "Ba2 Hf1 Pb1\n1.0\n-0.000000 4.204289 4.204289\n4.204289 0.000000 4.204289\n4.204289 4.204289 -0.000000\nBa Hf Pb\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Hf",
"Pb"
],
"chemical_system": "Ba-Hf-Pb",
"density": 7.377541368820872,
"density_atomic": 0.02691239269296969,
"volume": 148.630411484926,
"volume_molar": 22.37683147947362,
"formula_full": "Ba2 Hf1 Pb1",
"formula_reduced": "Ba2HfPb",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.38858894,
"spacegroup": 225
},
{
"id": "jvasp-63893",
"created_at": "2022-09-04T14:36:08.828464Z",
"updated_at": "2022-09-04T14:36:08.828479Z",
"structure_string": "Ba4 Hf1 P1\n1.0\n0.000000 4.903326 4.903326\n4.903326 0.000000 4.903326\n4.903326 4.903326 -0.000000\nBa Hf P\n4 1 1\ndirect\n0.122864 0.625712 0.625712 Ba\n0.625712 0.625712 0.625712 Ba\n0.625712 0.122864 0.625712 Ba\n0.625712 0.625712 0.122864 Ba\n0.250000 0.250000 0.250000 Hf\n0.000000 0.000000 0.000000 P\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Hf",
"P"
],
"chemical_system": "Ba-Hf-P",
"density": 5.34389549392445,
"density_atomic": 0.025447724198991002,
"volume": 235.77746886450063,
"volume_molar": 23.66475175897567,
"formula_full": "Ba4 Hf1 P1",
"formula_reduced": "Ba4HfP",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.5172237299999998,
"spacegroup": 216
},
{
"id": "jvasp-106306",
"created_at": "2022-09-04T14:38:17.852673Z",
"updated_at": "2022-09-04T14:38:17.852699Z",
"structure_string": "Ba2 Hf1 U1 O6\n1.0\n5.288215 0.000000 3.053152\n1.762738 4.985777 3.053153\n0.000000 -0.000000 6.106305\nBa Hf U O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750001 0.750000 0.749999 Ba\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 U\n0.757652 0.242349 0.242348 O\n0.242349 0.757652 0.757651 O\n0.242349 0.757652 0.242348 O\n0.757652 0.242349 0.757651 O\n0.242349 0.242349 0.757652 O\n0.757652 0.757652 0.242347 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Hf",
"U",
"O"
],
"chemical_system": "Ba-Hf-O-U",
"density": 8.118892754927264,
"density_atomic": 0.06211257779144436,
"volume": 160.99798713196284,
"volume_molar": 9.69552540585349,
"formula_full": "Ba2 Hf1 U1 O6",
"formula_reduced": "Ba2HfUO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.700070194,
"spacegroup": 225
}
]
}