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=50",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=48",
"results": [
{
"id": "jvasp-36505",
"created_at": "2022-09-04T14:37:30.914168Z",
"updated_at": "2022-09-04T14:37:30.914194Z",
"structure_string": "Ba3 Sb1 As1\n1.0\n6.434781 0.000000 0.000000\n0.000000 6.434781 -0.000000\n-0.000000 0.000000 6.434781\nBa Sb As\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.000000 As\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Sb",
"As"
],
"chemical_system": "As-Ba-Sb",
"density": 3.7933629830033055,
"density_atomic": 0.018765869502507505,
"volume": 266.4411579400516,
"volume_molar": 32.09092314744765,
"formula_full": "Ba3 Sb1 As1",
"formula_reduced": "Ba3SbAs",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.5914171520000001,
"spacegroup": 221
},
{
"id": "jvasp-52462",
"created_at": "2022-09-04T14:37:44.044014Z",
"updated_at": "2022-09-04T14:37:44.044038Z",
"structure_string": "Ba4 Sr2 I12\n1.0\n7.879753 -0.000000 0.000000\n0.000000 7.879753 0.000000\n0.000000 0.000000 15.432568\nBa Sr I\n4 2 12\ndirect\n0.000000 0.000000 0.000882 Ba\n0.000000 0.000000 0.334112 Ba\n0.500000 0.500000 0.500882 Ba\n0.500000 0.500000 0.834112 Ba\n0.000000 0.000000 0.667490 Sr\n0.500000 0.500000 0.167490 Sr\n0.806347 0.193653 0.508042 I\n0.693653 0.693653 0.008042 I\n0.693648 0.693648 0.326935 I\n0.706006 0.706006 0.667504 I\n0.293994 0.293994 0.667504 I\n0.193653 0.806347 0.508042 I\n0.306347 0.306347 0.008042 I\n0.806351 0.193648 0.826935 I\n0.193648 0.806351 0.826935 I\n0.206006 0.793994 0.167504 I\n0.306352 0.306352 0.326935 I\n0.793994 0.206006 0.167504 I\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ba",
"Sr",
"I"
],
"chemical_system": "Ba-I-Sr",
"density": 3.8946315990619818,
"density_atomic": 0.01878490907873531,
"volume": 958.2159766946206,
"volume_molar": 32.05839716742159,
"formula_full": "Ba4 Sr2 I12",
"formula_reduced": "Ba2SrI6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0106266666666666,
"spacegroup": 136
},
{
"id": "jvasp-64278",
"created_at": "2022-09-04T14:36:01.943440Z",
"updated_at": "2022-09-04T14:36:01.943466Z",
"structure_string": "K1 Ba1 Zr1\n1.0\n0.000000 4.305853 4.305853\n4.305853 0.000000 4.305853\n4.305853 4.305853 0.000000\nK Ba Zr\n1 1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.749999 0.749999 0.749999 Ba\n0.500000 0.500000 0.500000 Zr\n",
"nsites": 3,
"nelements": 3,
"elements": [
"K",
"Ba",
"Zr"
],
"chemical_system": "Ba-K-Zr",
"density": 2.7836050540637,
"density_atomic": 0.018789432434471568,
"volume": 159.66421606733178,
"volume_molar": 32.05067944975085,
"formula_full": "K1 Ba1 Zr1",
"formula_reduced": "KBaZr",
"formula_anonymous": "ABC",
"energy_above_hull": 1.38725949,
"spacegroup": 216
},
{
"id": "jvasp-119962",
"created_at": "2022-09-04T14:38:54.044445Z",
"updated_at": "2022-09-04T14:38:54.044468Z",
"structure_string": "Ba2 Se1\n1.0\n4.383440 0.000000 -0.552875\n0.000000 4.330845 0.000000\n-1.132864 0.000000 8.549292\nBa Se\n2 1\ndirect\n-0.165553 0.000000 -0.132436 Ba\n0.098886 0.000000 0.399102 Ba\n0.466667 0.000000 0.133334 Se\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ba",
"Se"
],
"chemical_system": "Ba-Se",
"density": 3.679429448746125,
"density_atomic": 0.018798499548515372,
"volume": 159.5872049392861,
"volume_molar": 32.03522038797827,
"formula_full": "Ba2 Se1",
"formula_reduced": "Ba2Se",
"formula_anonymous": "AB2",
"energy_above_hull": 0.4139686566666666,
"spacegroup": 65
},
{
"id": "jvasp-38183",
"created_at": "2022-09-04T14:38:11.568457Z",
"updated_at": "2022-09-04T14:38:11.568490Z",
"structure_string": "Rb3 Tl1\n1.0\n0.000000 4.738295 4.738295\n4.738295 0.000000 4.738295\n4.738295 4.738295 -0.000000\nRb Tl\n3 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500002 0.500002 0.500002 Rb\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Tl\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Tl"
],
"chemical_system": "Rb-Tl",
"density": 3.5962738042796505,
"density_atomic": 0.018800253625685843,
"volume": 212.76308711787806,
"volume_molar": 32.032231478900115,
"formula_full": "Rb3 Tl1",
"formula_reduced": "Rb3Tl",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0001599999999999,
"spacegroup": 225
},
{
"id": "jvasp-38223",
"created_at": "2022-09-04T14:37:46.266965Z",
"updated_at": "2022-09-04T14:37:46.266986Z",
"structure_string": "Rb3 Mo1\n1.0\n-3.348502 3.348502 4.743738\n3.348502 -3.348502 4.743738\n3.348502 3.348502 -4.743738\nRb Mo\n3 1\ndirect\n0.750001 0.250000 0.500001 Rb\n0.250000 0.750001 0.500001 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Mo"
],
"chemical_system": "Mo-Rb",
"density": 2.750004642491698,
"density_atomic": 0.018800880111234194,
"volume": 212.75599739662496,
"volume_molar": 32.03116409641673,
"formula_full": "Rb3 Mo1",
"formula_reduced": "Rb3Mo",
"formula_anonymous": "AB3",
"energy_above_hull": 1.089998975,
"spacegroup": 225
},
{
"id": "jvasp-38228",
"created_at": "2022-09-04T14:37:55.972202Z",
"updated_at": "2022-09-04T14:37:55.972224Z",
"structure_string": "Rb3 Mo1\n1.0\n0.000000 4.737006 4.737006\n4.737006 -0.000000 4.737006\n4.737006 4.737006 0.000000\nRb Mo\n3 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Rb\n0.250000 0.250000 0.250000 Rb\n0.750001 0.750001 0.750001 Mo\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Mo"
],
"chemical_system": "Mo-Rb",
"density": 2.752158477006611,
"density_atomic": 0.018815605171646318,
"volume": 212.58949491710717,
"volume_molar": 32.0060965622031,
"formula_full": "Rb3 Mo1",
"formula_reduced": "Rb3Mo",
"formula_anonymous": "AB3",
"energy_above_hull": 1.089686475,
"spacegroup": 225
},
{
"id": "jvasp-36503",
"created_at": "2022-09-04T14:37:29.991734Z",
"updated_at": "2022-09-04T14:37:29.991762Z",
"structure_string": "Ba3 Sb1 P1\n1.0\n6.424083 0.000000 0.000000\n0.000000 6.424083 0.000000\n-0.000000 0.000000 6.424083\nBa Sb P\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.000000 P\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Sb",
"P"
],
"chemical_system": "Ba-P-Sb",
"density": 3.5370793903272424,
"density_atomic": 0.0188597778989942,
"volume": 265.1144688329894,
"volume_molar": 31.931132976497903,
"formula_full": "Ba3 Sb1 P1",
"formula_reduced": "Ba3SbP",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.759325902,
"spacegroup": 221
},
{
"id": "jvasp-99595",
"created_at": "2022-09-04T14:36:35.899117Z",
"updated_at": "2022-09-04T14:36:35.899138Z",
"structure_string": "K2 Rb1 Bi1 I6\n1.0\n7.865681 -0.000000 4.541253\n2.621894 7.415835 4.541253\n-0.000000 -0.000000 9.082506\nK Rb Bi I\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Bi\n0.761913 0.238087 0.238087 I\n0.238087 0.238087 0.761913 I\n0.238086 0.761913 0.761913 I\n0.238086 0.761913 0.238087 I\n0.761913 0.238087 0.761913 I\n0.761912 0.761913 0.238087 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Rb",
"Bi",
"I"
],
"chemical_system": "Bi-I-K-Rb",
"density": 3.5545735006687638,
"density_atomic": 0.018875476286224987,
"volume": 529.7879559891072,
"volume_molar": 31.90457643919089,
"formula_full": "K2 Rb1 Bi1 I6",
"formula_reduced": "K2RbBiI6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-25093",
"created_at": "2022-09-04T14:37:55.459721Z",
"updated_at": "2022-09-04T14:37:55.459747Z",
"structure_string": "Sr2\n1.0\n4.204084 -0.000000 -0.000000\n-2.102042 3.640844 0.000000\n-0.000000 0.000000 6.907321\nSr\n2\ndirect\n0.333333 0.666666 0.250000 Sr\n0.666666 0.333333 0.750000 Sr\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Sr"
],
"chemical_system": "Sr",
"density": 2.752322033485767,
"density_atomic": 0.018916766386930656,
"volume": 105.72631490452689,
"volume_molar": 31.834937519557343,
"formula_full": "Sr2",
"formula_reduced": "Sr",
"formula_anonymous": "A",
"energy_above_hull": 0.0075699999999999,
"spacegroup": 194
},
{
"id": "jvasp-14618",
"created_at": "2022-09-04T14:38:17.890954Z",
"updated_at": "2022-09-04T14:38:17.890973Z",
"structure_string": "Sr2\n1.0\n2.102042 -3.640844 -0.000000\n2.102042 3.640844 -0.000000\n-0.000000 -0.000000 6.907321\nSr\n2\ndirect\n0.666666 0.333333 0.750000 Sr\n0.333333 0.666666 0.250000 Sr\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Sr"
],
"chemical_system": "Sr",
"density": 2.752322033485767,
"density_atomic": 0.018916766386930656,
"volume": 105.72631490452689,
"volume_molar": 31.834937519557343,
"formula_full": "Sr2",
"formula_reduced": "Sr",
"formula_anonymous": "A",
"energy_above_hull": 0.0075699999999999,
"spacegroup": 194
},
{
"id": "jvasp-39265",
"created_at": "2022-09-04T14:37:50.851200Z",
"updated_at": "2022-09-04T14:37:50.851220Z",
"structure_string": "K3 Sc1\n1.0\n0.000000 4.727501 4.727501\n4.727501 0.000000 4.727501\n4.727501 4.727501 -0.000000\nK Sc\n3 1\ndirect\n0.000000 0.000000 0.000000 K\n0.500001 0.500001 0.500001 K\n0.250000 0.250000 0.250000 K\n0.749999 0.749999 0.749999 Sc\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"Sc"
],
"chemical_system": "K-Sc",
"density": 1.2750026652059812,
"density_atomic": 0.018929324118018,
"volume": 211.3123519393159,
"volume_molar": 31.81381819263049,
"formula_full": "K3 Sc1",
"formula_reduced": "K3Sc",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0986598124999999,
"spacegroup": 225
}
]
}