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=-volume_molar&page=212",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=210",
"results": [
{
"id": "jvasp-37114",
"created_at": "2022-09-04T14:38:07.287483Z",
"updated_at": "2022-09-04T14:38:07.287506Z",
"structure_string": "Rb1 Sm1 Te2\n1.0\n-2.283556 -3.955236 -0.000000\n-4.567113 -0.000000 -0.000000\n-2.283556 -1.318412 -8.465155\nRb Sm Te\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500001 0.500000 Sm\n0.764698 0.764698 0.705906 Te\n0.235303 0.235303 0.294093 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Rb",
"Sm",
"Te"
],
"chemical_system": "Rb-Sm-Te",
"density": 5.332195997905443,
"density_atomic": 0.026158384409511803,
"volume": 152.91464248631144,
"volume_molar": 23.021837532941095,
"formula_full": "Rb1 Sm1 Te2",
"formula_reduced": "RbSmTe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.2346286020833333,
"spacegroup": 166
},
{
"id": "jvasp-118571",
"created_at": "2022-09-04T14:38:48.621843Z",
"updated_at": "2022-09-04T14:38:48.621876Z",
"structure_string": "Ti1 I3\n1.0\n6.490112 -0.556032 -1.904466\n-0.565387 -3.753741 -0.773140\n1.206268 -2.545367 -7.153707\nTi I\n1 3\ndirect\n0.124576 0.588841 0.740452 Ti\n0.070133 -0.218760 0.060911 I\n0.742867 0.586946 0.740578 I\n0.390357 0.397542 0.420213 I\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"I"
],
"chemical_system": "I-Ti",
"density": 4.654166376048741,
"density_atomic": 0.026158960505647474,
"volume": 152.9112748626398,
"volume_molar": 23.021330525346663,
"formula_full": "Ti1 I3",
"formula_reduced": "TiI3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.5292242895833333,
"spacegroup": 38
},
{
"id": "jvasp-66624",
"created_at": "2022-09-04T14:36:09.389251Z",
"updated_at": "2022-09-04T14:36:09.389271Z",
"structure_string": "Ba1 Nb1 Tl1\n1.0\n-0.000000 3.856159 3.856159\n3.856159 0.000000 3.856159\n3.856159 3.856159 -0.000000\nBa Nb Tl\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 0.500000 Tl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Nb",
"Tl"
],
"chemical_system": "Ba-Nb-Tl",
"density": 6.2930429162323165,
"density_atomic": 0.02615932062020848,
"volume": 114.68187739105325,
"volume_molar": 23.02101360899947,
"formula_full": "Ba1 Nb1 Tl1",
"formula_reduced": "BaNbTl",
"formula_anonymous": "ABC",
"energy_above_hull": 1.8182493233333328,
"spacegroup": 216
},
{
"id": "jvasp-66138",
"created_at": "2022-09-04T14:35:52.400445Z",
"updated_at": "2022-09-04T14:35:52.400469Z",
"structure_string": "Ba1 Mo1 Se1\n1.0\n0.000000 3.856151 3.856151\n3.856151 0.000000 3.856151\n3.856151 3.856151 0.000000\nBa Mo Se\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Mo\n0.500000 0.500000 0.500000 Se\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Mo",
"Se"
],
"chemical_system": "Ba-Mo-Se",
"density": 4.520926669356174,
"density_atomic": 0.026159483431518867,
"volume": 114.68116363434683,
"volume_molar": 23.02087033088766,
"formula_full": "Ba1 Mo1 Se1",
"formula_reduced": "BaMoSe",
"formula_anonymous": "ABC",
"energy_above_hull": 2.388998412222222,
"spacegroup": 216
},
{
"id": "jvasp-117795",
"created_at": "2022-09-04T14:38:26.672596Z",
"updated_at": "2022-09-04T14:38:26.672623Z",
"structure_string": "I2 Br2\n1.0\n4.328514 0.000000 0.000000\n0.000000 4.328514 0.000000\n0.000000 0.000000 8.159814\nI Br\n2 2\ndirect\n0.000000 0.000000 0.749940 I\n0.500000 0.500000 0.250059 I\n0.000000 0.000000 0.250075 Br\n0.500000 0.500000 0.749924 Br\n",
"nsites": 4,
"nelements": 2,
"elements": [
"I",
"Br"
],
"chemical_system": "Br-I",
"density": 4.492514654583396,
"density_atomic": 0.026163875808000964,
"volume": 152.88254803505802,
"volume_molar": 23.01700560036452,
"formula_full": "I2 Br2",
"formula_reduced": "IBr",
"formula_anonymous": "AB",
"energy_above_hull": 0.109596,
"spacegroup": 139
},
{
"id": "jvasp-5845",
"created_at": "2022-09-04T14:38:13.444722Z",
"updated_at": "2022-09-04T14:38:13.444755Z",
"structure_string": "Nb4 I20\n1.0\n0.000000 10.719943 -0.113579\n6.442249 0.000000 0.000000\n0.000000 -4.832342 -13.231098\nNb I\n4 20\ndirect\n0.717926 0.487498 0.800514 Nb\n0.282074 0.987498 0.699486 Nb\n0.282074 0.512502 0.199486 Nb\n0.717926 0.012502 0.300514 Nb\n0.690577 0.259757 0.954570 I\n0.309423 0.759757 0.545431 I\n0.105199 0.763731 0.234317 I\n0.894801 0.263731 0.265683 I\n0.894801 0.236269 0.765683 I\n0.105199 0.736269 0.734317 I\n0.890198 0.751524 0.429318 I\n0.109801 0.251524 0.070683 I\n0.109802 0.248476 0.570683 I\n0.693907 0.760885 0.139920 I\n0.690577 0.240243 0.454570 I\n0.306093 0.260885 0.360080 I\n0.306093 0.239115 0.860080 I\n0.693907 0.739115 0.639920 I\n0.499950 0.744662 0.335448 I\n0.500050 0.244662 0.164552 I\n0.500050 0.255338 0.664552 I\n0.499950 0.755338 0.835448 I\n0.890199 0.748476 0.929318 I\n0.309423 0.740243 0.045431 I\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Nb",
"I"
],
"chemical_system": "I-Nb",
"density": 5.267400755447417,
"density_atomic": 0.026164236432836625,
"volume": 917.2826450184318,
"volume_molar": 23.016688354192123,
"formula_full": "Nb4 I20",
"formula_reduced": "NbI5",
"formula_anonymous": "AB5",
"energy_above_hull": 0.6462284624999997,
"spacegroup": 14
},
{
"id": "jvasp-64051",
"created_at": "2022-09-04T14:37:40.932809Z",
"updated_at": "2022-09-04T14:37:40.932833Z",
"structure_string": "Ba4 Ta1 Ti1\n1.0\n-0.000000 4.857996 4.857996\n4.857996 -0.000000 4.857996\n4.857996 4.857996 0.000000\nBa Ta Ti\n4 1 1\ndirect\n0.125787 0.624738 0.624738 Ba\n0.624738 0.624738 0.624738 Ba\n0.624738 0.125787 0.624738 Ba\n0.624738 0.624738 0.125787 Ba\n0.250000 0.250000 0.250000 Ta\n0.000000 0.000000 0.000000 Ti\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ta",
"Ti"
],
"chemical_system": "Ba-Ta-Ti",
"density": 5.635024760700439,
"density_atomic": 0.026166750660320294,
"volume": 229.29862702053038,
"volume_molar": 23.014476799872888,
"formula_full": "Ba4 Ta1 Ti1",
"formula_reduced": "Ba4TaTi",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.0118102355555547,
"spacegroup": 216
},
{
"id": "jvasp-34926",
"created_at": "2022-09-04T14:37:34.625892Z",
"updated_at": "2022-09-04T14:37:34.625914Z",
"structure_string": "Sr10 Bi6\n1.0\n4.858388 -8.414976 -0.000000\n4.858388 8.414976 0.000000\n0.000000 0.000000 7.478057\nSr Bi\n10 6\ndirect\n0.333333 0.666667 0.000000 Sr\n0.666667 0.333333 0.500000 Sr\n0.666667 0.333333 0.000000 Sr\n0.333333 0.666667 0.500000 Sr\n0.748321 -0.000000 0.250000 Sr\n0.748321 0.748321 0.750000 Sr\n-0.000000 0.251680 0.750000 Sr\n-0.000000 0.748321 0.250000 Sr\n0.251680 0.251680 0.250000 Sr\n0.251680 -0.000000 0.750000 Sr\n0.390298 -0.000000 0.250000 Bi\n0.390298 0.390298 0.750000 Bi\n-0.000000 0.609703 0.750000 Bi\n-0.000000 0.390298 0.250000 Bi\n0.609703 0.609703 0.250000 Bi\n0.609703 -0.000000 0.750000 Bi\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Sr",
"Bi"
],
"chemical_system": "Bi-Sr",
"density": 5.784710876631443,
"density_atomic": 0.0261671328147803,
"volume": 611.4540753567974,
"volume_molar": 23.014140687964257,
"formula_full": "Sr10 Bi6",
"formula_reduced": "Sr5Bi3",
"formula_anonymous": "A3B5",
"energy_above_hull": 0.1898883937499999,
"spacegroup": 193
},
{
"id": "jvasp-68962",
"created_at": "2022-09-04T14:35:41.612855Z",
"updated_at": "2022-09-04T14:35:41.612887Z",
"structure_string": "Ba1 Sr1 Mg2\n1.0\n4.246360 -0.000000 0.000000\n-0.000000 4.246360 -0.000000\n0.000000 -0.000000 8.475200\nBa Sr Mg\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Ba\n0.500000 0.500000 0.500000 Sr\n-0.000000 0.000000 0.265445 Mg\n-0.000000 0.000000 0.734555 Mg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Sr",
"Mg"
],
"chemical_system": "Ba-Mg-Sr",
"density": 2.972441757690679,
"density_atomic": 0.02617438072782067,
"volume": 152.82118960500992,
"volume_molar": 23.007767872800464,
"formula_full": "Ba1 Sr1 Mg2",
"formula_reduced": "BaSrMg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 123
},
{
"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-69012",
"created_at": "2022-09-04T14:36:00.490930Z",
"updated_at": "2022-09-04T14:36:00.490955Z",
"structure_string": "Ba1 Sr1 Mg2\n1.0\n4.247122 -0.000000 0.000000\n0.000000 4.247122 -0.000000\n0.000000 -0.000000 8.471703\nBa Sr Mg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.500000 0.500000 0.000000 Sr\n0.000000 0.000000 0.765699 Mg\n0.000000 0.000000 0.234301 Mg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Sr",
"Mg"
],
"chemical_system": "Ba-Mg-Sr",
"density": 2.9726017904142235,
"density_atomic": 0.02617578992530086,
"volume": 152.81296233714423,
"volume_molar": 23.00652922867153,
"formula_full": "Ba1 Sr1 Mg2",
"formula_reduced": "BaSrMg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.250000000000087e-05,
"spacegroup": 123
},
{
"id": "jvasp-69106",
"created_at": "2022-09-04T14:36:22.284929Z",
"updated_at": "2022-09-04T14:36:22.284955Z",
"structure_string": "Ba2 La1 Hf1\n1.0\n-0.000000 4.243243 4.243243\n4.243243 0.000000 4.243243\n4.243243 4.243243 -0.000000\nBa La Hf\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.749999 0.749999 0.749999 Ba\n0.500000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Hf\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"La",
"Hf"
],
"chemical_system": "Ba-Hf-La",
"density": 6.434034541891884,
"density_atomic": 0.026177989267934017,
"volume": 152.8001237627401,
"volume_molar": 23.004596336116045,
"formula_full": "Ba2 La1 Hf1",
"formula_reduced": "Ba2LaHf",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.883889985,
"spacegroup": 225
}
]
}