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_reduced&page=4407",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=4405",
"results": [
{
"id": "jvasp-88080",
"created_at": "2022-09-04T14:35:44.842419Z",
"updated_at": "2022-09-04T14:35:44.842451Z",
"structure_string": "Ba8 Br12 O2\n1.0\n10.412649 0.000000 0.000000\n-5.206325 9.017619 -0.000000\n0.000000 -0.000000 7.902812\nBa Br O\n8 12 2\ndirect\n0.198366 0.801634 -0.000917 Ba\n0.333333 0.666667 0.420931 Ba\n0.603268 0.801634 -0.000917 Ba\n0.801634 0.198366 0.499083 Ba\n0.396732 0.198366 0.499083 Ba\n0.801634 0.603268 0.499083 Ba\n0.666667 0.333333 0.920930 Ba\n0.198366 0.396732 -0.000917 Ba\n0.940378 0.470189 0.207818 Br\n0.470189 0.529811 0.707818 Br\n0.529811 0.059622 0.207818 Br\n0.141650 0.858349 0.394846 Br\n0.470189 0.940378 0.707818 Br\n0.059621 0.529811 0.707818 Br\n0.141650 0.283301 0.394846 Br\n0.858349 0.716699 0.894846 Br\n0.283301 0.141651 0.894846 Br\n0.529811 0.470189 0.207818 Br\n0.716699 0.858349 0.394846 Br\n0.858349 0.141651 0.894846 Br\n0.333333 0.666667 0.099395 O\n0.666667 0.333333 0.599395 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ba",
"Br",
"O"
],
"chemical_system": "Ba-Br-O",
"density": 4.675725201869476,
"density_atomic": 0.02964748916660778,
"volume": 742.0527207672881,
"volume_molar": 20.312481526370835,
"formula_full": "Ba8 Br12 O2",
"formula_reduced": "Ba4Br6O",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.0,
"spacegroup": 186
},
{
"id": "jvasp-52478",
"created_at": "2022-09-04T14:35:54.448267Z",
"updated_at": "2022-09-04T14:35:54.448294Z",
"structure_string": "Ba8 Br12 O2\n1.0\n10.135893 -0.000000 0.000000\n0.000000 10.135893 0.000000\n-0.000000 -0.000000 7.627844\nBa Br O\n8 12 2\ndirect\n0.500000 0.733398 0.840103 Ba\n0.233398 0.000000 0.340103 Ba\n0.766602 0.000000 0.340103 Ba\n0.500000 0.266602 0.840103 Ba\n0.000000 0.233398 0.659896 Ba\n0.733398 0.500000 0.159897 Ba\n0.266602 0.500000 0.159897 Ba\n0.000000 0.766602 0.659896 Ba\n0.701581 0.701581 0.500000 Br\n0.298418 0.701581 0.500000 Br\n0.000000 0.500000 0.900214 Br\n0.000000 0.500000 0.400215 Br\n0.701581 0.298418 0.500000 Br\n0.298418 0.298418 0.500000 Br\n0.500000 0.000000 0.599785 Br\n0.798418 0.201582 0.000000 Br\n0.500000 0.000000 0.099785 Br\n0.798418 0.798418 0.000000 Br\n0.201582 0.798418 0.000000 Br\n0.201582 0.201582 0.000000 Br\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ba",
"Br",
"O"
],
"chemical_system": "Ba-Br-O",
"density": 4.427493211319976,
"density_atomic": 0.02807351829944063,
"volume": 783.6566747830233,
"volume_molar": 21.45132183207686,
"formula_full": "Ba8 Br12 O2",
"formula_reduced": "Ba4Br6O",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.0099572727272727,
"spacegroup": 137
},
{
"id": "jvasp-64035",
"created_at": "2022-09-04T14:36:09.516132Z",
"updated_at": "2022-09-04T14:36:09.516149Z",
"structure_string": "Ba4 Bi1 W1\n1.0\n0.000000 4.930523 4.930523\n4.930523 0.000000 4.930523\n4.930523 4.930523 0.000000\nBa Bi W\n4 1 1\ndirect\n0.125405 0.624864 0.624864 Ba\n0.624864 0.624864 0.624864 Ba\n0.624864 0.125405 0.624864 Ba\n0.624864 0.624864 0.125405 Ba\n0.250000 0.250000 0.250000 Bi\n0.000000 0.000000 0.000000 W\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Bi",
"W"
],
"chemical_system": "Ba-Bi-W",
"density": 6.5260474963672594,
"density_atomic": 0.025028930224256528,
"volume": 239.72259086747394,
"volume_molar": 24.06071975926364,
"formula_full": "Ba4 Bi1 W1",
"formula_reduced": "Ba4BiW",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.6051080299999998,
"spacegroup": 216
},
{
"id": "jvasp-64004",
"created_at": "2022-09-04T14:35:43.701098Z",
"updated_at": "2022-09-04T14:35:43.701125Z",
"structure_string": "Ba4 Bi1 Te1\n1.0\n-0.000000 4.974952 4.974952\n4.974952 0.000000 4.974952\n4.974952 4.974952 0.000000\nBa Bi Te\n4 1 1\ndirect\n0.125527 0.624824 0.624824 Ba\n0.624824 0.624824 0.624824 Ba\n0.624824 0.125527 0.624824 Ba\n0.624824 0.624824 0.125527 Ba\n0.250000 0.250000 0.250000 Bi\n0.000000 0.000000 0.000000 Te\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Bi",
"Te"
],
"chemical_system": "Ba-Bi-Te",
"density": 5.97353526805389,
"density_atomic": 0.024364335438736878,
"volume": 246.2615906387742,
"volume_molar": 24.71703271013661,
"formula_full": "Ba4 Bi1 Te1",
"formula_reduced": "Ba4BiTe",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.104520991111111,
"spacegroup": 216
},
{
"id": "jvasp-63920",
"created_at": "2022-09-04T14:38:08.762091Z",
"updated_at": "2022-09-04T14:38:08.762110Z",
"structure_string": "Ba4 Bi1 Se1\n1.0\n0.000000 4.917476 4.917476\n4.917476 0.000000 4.917476\n4.917476 4.917476 0.000000\nBa Bi Se\n4 1 1\ndirect\n0.125142 0.624953 0.624953 Ba\n0.624953 0.624953 0.624953 Ba\n0.624953 0.125142 0.624953 Ba\n0.624953 0.624953 0.125142 Ba\n0.250000 0.250000 0.250000 Bi\n0.000000 0.000000 0.000000 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Bi",
"Se"
],
"chemical_system": "Ba-Bi-Se",
"density": 5.845836722049168,
"density_atomic": 0.025228678809531075,
"volume": 237.8245823056448,
"volume_molar": 23.870218513879973,
"formula_full": "Ba4 Bi1 Se1",
"formula_reduced": "Ba4BiSe",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.2034669244444443,
"spacegroup": 216
},
{
"id": "jvasp-63972",
"created_at": "2022-09-04T14:35:59.271563Z",
"updated_at": "2022-09-04T14:35:59.271586Z",
"structure_string": "Ba4 Bi1 Sb1\n1.0\n-0.000000 4.958370 4.958370\n4.958370 0.000000 4.958370\n4.958370 4.958370 -0.000000\nBa Bi Sb\n4 1 1\ndirect\n0.124539 0.625154 0.625154 Ba\n0.625154 0.625154 0.625154 Ba\n0.625154 0.124539 0.625154 Ba\n0.625154 0.625154 0.124539 Ba\n0.250000 0.250000 0.250000 Bi\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Bi",
"Sb"
],
"chemical_system": "Ba-Bi-Sb",
"density": 5.993891341696314,
"density_atomic": 0.024609594680688802,
"volume": 243.80734741268256,
"volume_molar": 24.47070274068994,
"formula_full": "Ba4 Bi1 Sb1",
"formula_reduced": "Ba4BiSb",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.2597457133333333,
"spacegroup": 216
},
{
"id": "jvasp-66246",
"created_at": "2022-09-04T14:35:44.208656Z",
"updated_at": "2022-09-04T14:35:44.208696Z",
"structure_string": "Ba4 Bi1 Ru1\n1.0\n-0.000000 4.863346 4.863346\n4.863346 -0.000000 4.863346\n4.863346 4.863346 0.000000\nBa Bi Ru\n4 1 1\ndirect\n0.124901 0.625034 0.625034 Ba\n0.625034 0.625034 0.625034 Ba\n0.625034 0.124901 0.625034 Ba\n0.625034 0.625034 0.124901 Ba\n0.250000 0.250000 0.250000 Bi\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Bi",
"Ru"
],
"chemical_system": "Ba-Bi-Ru",
"density": 6.202802072630374,
"density_atomic": 0.02608049018945435,
"volume": 230.0570256316003,
"volume_molar": 23.09059651967375,
"formula_full": "Ba4 Bi1 Ru1",
"formula_reduced": "Ba4BiRu",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.9287297799999998,
"spacegroup": 216
},
{
"id": "jvasp-66683",
"created_at": "2022-09-04T14:36:06.508670Z",
"updated_at": "2022-09-04T14:36:06.508697Z",
"structure_string": "Ba4 Bi1 Pt1\n1.0\n-0.000000 4.852655 4.852655\n4.852655 -0.000000 4.852655\n4.852655 4.852655 -0.000000\nBa Bi Pt\n4 1 1\ndirect\n0.124228 0.625257 0.625257 Ba\n0.625257 0.625257 0.625257 Ba\n0.625257 0.124228 0.625257 Ba\n0.625257 0.625257 0.124228 Ba\n0.250000 0.250000 0.250000 Bi\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Bi",
"Pt"
],
"chemical_system": "Ba-Bi-Pt",
"density": 6.926971937038233,
"density_atomic": 0.026253245883663075,
"volume": 228.54316858905787,
"volume_molar": 22.938652182995288,
"formula_full": "Ba4 Bi1 Pt1",
"formula_reduced": "Ba4BiPt",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.4993465966666666,
"spacegroup": 216
},
{
"id": "jvasp-63958",
"created_at": "2022-09-04T14:35:47.848767Z",
"updated_at": "2022-09-04T14:35:47.848791Z",
"structure_string": "Ba4 Bi1 Pd1\n1.0\n-0.000000 4.904868 4.904868\n4.904868 -0.000000 4.904868\n4.904868 4.904868 0.000000\nBa Bi Pd\n4 1 1\ndirect\n0.125583 0.624806 0.624806 Ba\n0.624806 0.624806 0.624806 Ba\n0.624806 0.125583 0.624806 Ba\n0.624806 0.624806 0.125583 Ba\n0.250000 0.250000 0.250000 Bi\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Bi",
"Pd"
],
"chemical_system": "Ba-Bi-Pd",
"density": 6.084246588672459,
"density_atomic": 0.025423730858770956,
"volume": 235.99998101498366,
"volume_molar": 23.687085083825988,
"formula_full": "Ba4 Bi1 Pd1",
"formula_reduced": "Ba4BiPd",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.3238589799999999,
"spacegroup": 216
},
{
"id": "jvasp-112705",
"created_at": "2022-09-04T14:38:41.852794Z",
"updated_at": "2022-09-04T14:38:41.852822Z",
"structure_string": "Ba4 Bi1 Pb3 O12\n1.0\n4.352488 0.000000 0.000000\n0.000000 4.352488 0.000000\n-0.000000 -0.000000 17.440280\nBa Bi Pb O\n4 1 3 12\ndirect\n0.500000 0.500000 0.869680 Ba\n0.500000 0.500000 0.623118 Ba\n0.500000 0.500000 0.376882 Ba\n0.500000 0.500000 0.130320 Ba\n0.000000 0.000000 0.000000 Bi\n0.000000 0.000000 0.749082 Pb\n0.000000 0.000000 0.500000 Pb\n0.000000 0.000000 0.250918 Pb\n0.000000 0.000000 0.625444 O\n0.000000 0.000000 0.876256 O\n0.500000 -0.000000 -0.000000 O\n0.500000 -0.000000 0.246374 O\n0.500000 -0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n-0.000000 0.500000 -0.000000 O\n-0.000000 0.500000 0.246374 O\n0.000000 0.000000 0.374556 O\n-0.000000 0.500000 0.753626 O\n0.500000 -0.000000 0.753626 O\n0.000000 0.000000 0.123744 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ba",
"Bi",
"Pb",
"O"
],
"chemical_system": "Ba-Bi-O-Pb",
"density": 7.900238441958628,
"density_atomic": 0.06053427950086727,
"volume": 330.3913115826127,
"volume_molar": 9.948314921157559,
"formula_full": "Ba4 Bi1 Pb3 O12",
"formula_reduced": "Ba4Bi(PbO4)3",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 1.774356632,
"spacegroup": 123
},
{
"id": "jvasp-64440",
"created_at": "2022-09-04T14:35:53.377115Z",
"updated_at": "2022-09-04T14:35:53.377146Z",
"structure_string": "Ba4 Bi1 Pb1\n1.0\n0.000000 5.009769 5.009769\n5.009769 0.000000 5.009769\n5.009769 5.009769 -0.000000\nBa Bi Pb\n4 1 1\ndirect\n0.126268 0.624577 0.624577 Ba\n0.624577 0.624577 0.624577 Ba\n0.624577 0.126268 0.624577 Ba\n0.624577 0.624577 0.126268 Ba\n0.250000 0.250000 0.250000 Bi\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Bi",
"Pb"
],
"chemical_system": "Ba-Bi-Pb",
"density": 6.375482513395269,
"density_atomic": 0.02385987431139705,
"volume": 251.46821486540708,
"volume_molar": 25.2396164430901,
"formula_full": "Ba4 Bi1 Pb1",
"formula_reduced": "Ba4BiPb",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0286281666666666,
"spacegroup": 216
},
{
"id": "jvasp-66657",
"created_at": "2022-09-04T14:36:11.250156Z",
"updated_at": "2022-09-04T14:36:11.250182Z",
"structure_string": "Ba4 Bi1 P1\n1.0\n0.000000 4.875146 4.875146\n4.875146 -0.000000 4.875146\n4.875146 4.875146 -0.000000\nBa Bi P\n4 1 1\ndirect\n0.124019 0.625328 0.625328 Ba\n0.625328 0.625328 0.625328 Ba\n0.625328 0.124019 0.625328 Ba\n0.625328 0.625328 0.124019 Ba\n0.250000 0.250000 0.250000 Bi\n0.000000 0.000000 0.000000 P\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Bi",
"P"
],
"chemical_system": "Ba-Bi-P",
"density": 5.655584628099264,
"density_atomic": 0.02589156938878516,
"volume": 231.73566306099923,
"volume_molar": 23.25907970108783,
"formula_full": "Ba4 Bi1 P1",
"formula_reduced": "Ba4BiP",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.5492106133333332,
"spacegroup": 216
}
]
}