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=717",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=715",
"results": [
{
"id": "jvasp-63921",
"created_at": "2022-09-04T14:37:40.245429Z",
"updated_at": "2022-09-04T14:37:40.245452Z",
"structure_string": "Ba4 Ca1 Ir1\n1.0\n-0.000000 4.921824 4.921824\n4.921824 -0.000000 4.921824\n4.921824 4.921824 0.000000\nBa Ca Ir\n4 1 1\ndirect\n0.117878 0.627373 0.627373 Ba\n0.627373 0.627373 0.627373 Ba\n0.627373 0.117878 0.627373 Ba\n0.627373 0.627373 0.117878 Ba\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"Ir"
],
"chemical_system": "Ba-Ca-Ir",
"density": 5.442858957558658,
"density_atomic": 0.025161875881161436,
"volume": 238.45598906606833,
"volume_molar": 23.93359218701474,
"formula_full": "Ba4 Ca1 Ir1",
"formula_reduced": "Ba4CaIr",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.7231642333333331,
"spacegroup": 216
},
{
"id": "jvasp-23491",
"created_at": "2022-09-04T14:37:34.916849Z",
"updated_at": "2022-09-04T14:37:34.916876Z",
"structure_string": "Ba2 Ca1 Ir1 O6\n1.0\n5.155768 -0.000000 2.976684\n1.718590 4.860904 2.976684\n0.000000 0.000000 5.953368\nBa Ca Ir O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750001 0.749999 0.749999 Ba\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ir\n0.268276 0.731724 0.731724 O\n0.268276 0.731724 0.268275 O\n0.731725 0.268275 0.731724 O\n0.268276 0.268275 0.731724 O\n0.731725 0.268275 0.268275 O\n0.731725 0.731724 0.268275 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Ca",
"Ir",
"O"
],
"chemical_system": "Ba-Ca-Ir-O",
"density": 6.710485528522701,
"density_atomic": 0.06702346254681113,
"volume": 149.20148288393352,
"volume_molar": 8.985123315277784,
"formula_full": "Ba2 Ca1 Ir1 O6",
"formula_reduced": "Ba2CaIrO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.940310446,
"spacegroup": 225
},
{
"id": "jvasp-88949",
"created_at": "2022-09-04T14:35:51.269299Z",
"updated_at": "2022-09-04T14:35:51.269313Z",
"structure_string": "Ba3 Ca1 Ir2 O9\n1.0\n5.874755 0.000000 -0.000000\n-2.937377 5.087686 0.000000\n0.000000 0.000000 7.211911\nBa Ca Ir O\n3 1 2 9\ndirect\n0.333333 0.666667 0.664016 Ba\n0.000000 0.000000 0.000000 Ba\n0.666666 0.333333 0.335984 Ba\n0.000000 0.000000 0.500000 Ca\n0.333333 0.666667 0.157781 Ir\n0.666666 0.333333 0.842219 Ir\n0.821722 0.178277 0.684878 O\n0.821722 0.643446 0.684878 O\n0.356554 0.178277 0.684878 O\n0.643445 0.821724 0.315122 O\n0.178277 0.356554 0.315122 O\n0.178277 0.821724 0.315122 O\n0.500000 0.000000 0.000000 O\n-0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Ba",
"Ca",
"Ir",
"O"
],
"chemical_system": "Ba-Ca-Ir-O",
"density": 7.553196532619438,
"density_atomic": 0.06958743699017303,
"volume": 215.5561499142189,
"volume_molar": 8.654063176447254,
"formula_full": "Ba3 Ca1 Ir2 O9",
"formula_reduced": "Ba3CaIr2O9",
"formula_anonymous": "AB2C3D9",
"energy_above_hull": 2.320406135333333,
"spacegroup": 164
},
{
"id": "jvasp-22909",
"created_at": "2022-09-04T14:38:20.311624Z",
"updated_at": "2022-09-04T14:38:20.311649Z",
"structure_string": "Ba6 Ca2 Ir4 O18\n1.0\n5.940578 -0.002137 -0.038606\n-2.968083 5.145966 -0.038606\n0.049977 0.086483 14.669669\nBa Ca Ir O\n6 2 4 18\ndirect\n0.334599 0.667985 0.088251 Ba\n0.332016 0.665402 0.411748 Ba\n0.999831 0.000168 0.250000 Ba\n0.000170 0.999831 0.750000 Ba\n0.667985 0.334597 0.588251 Ba\n0.665403 0.332014 0.911748 Ba\n0.000000 0.000000 0.000000 Ca\n0.000000 -0.000000 0.500000 Ca\n0.336097 0.669332 0.663211 Ir\n0.663904 0.330668 0.336788 Ir\n0.669332 0.336096 0.163211 Ir\n0.330669 0.663904 0.836788 Ir\n0.981192 0.490772 0.251871 O\n0.509228 0.018809 0.248129 O\n0.018810 0.509228 0.748129 O\n0.351151 0.172985 0.410032 O\n0.490730 0.509270 0.750000 O\n0.173134 0.816560 0.911899 O\n0.183441 0.826867 0.588100 O\n0.826867 0.183439 0.088100 O\n0.816561 0.173133 0.411899 O\n0.637811 0.816348 0.913932 O\n0.183653 0.362190 0.586068 O\n0.362190 0.183652 0.086068 O\n0.816349 0.637810 0.413932 O\n0.172985 0.351151 0.910032 O\n0.648850 0.827015 0.589967 O\n0.827016 0.648849 0.089967 O\n0.509271 0.490729 0.250000 O\n0.490773 0.981191 0.751871 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Ba",
"Ca",
"Ir",
"O"
],
"chemical_system": "Ba-Ca-Ir-O",
"density": 7.262011915750071,
"density_atomic": 0.06690475938587699,
"volume": 448.3985933941306,
"volume_molar": 9.001064820018202,
"formula_full": "Ba6 Ca2 Ir4 O18",
"formula_reduced": "Ba3CaIr2O9",
"formula_anonymous": "AB2C3D9",
"energy_above_hull": 2.319828135333333,
"spacegroup": 194
},
{
"id": "jvasp-68963",
"created_at": "2022-09-04T14:35:44.457046Z",
"updated_at": "2022-09-04T14:35:44.457071Z",
"structure_string": "Ba1 Li1 Ca2\n1.0\n4.144148 0.000000 0.000000\n0.000000 4.143898 0.000000\n0.000000 0.000000 9.399925\nBa Li Ca\n1 1 2\ndirect\n0.500000 0.500000 0.714840 Ba\n0.000000 0.000000 0.468006 Li\n0.000000 0.000000 0.028077 Ca\n0.500000 0.500000 0.289077 Ca\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Li",
"Ca"
],
"chemical_system": "Ba-Ca-Li",
"density": 2.3086053289242243,
"density_atomic": 0.024779428679414444,
"volume": 161.42422215420194,
"volume_molar": 24.302984697152862,
"formula_full": "Ba1 Li1 Ca2",
"formula_reduced": "BaLiCa2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.250000000000475e-05,
"spacegroup": 99
},
{
"id": "jvasp-77273",
"created_at": "2022-09-04T14:38:01.804013Z",
"updated_at": "2022-09-04T14:38:01.804030Z",
"structure_string": "Ba1 Li2 Ca1\n1.0\n-12.548428 -0.000000 -7.244839\n-12.185467 -0.007529 6.616170\n-8.241083 11.148874 -0.215703\nBa Li Ca\n1 2 1\ndirect\n0.500000 -0.000000 0.000000 Ba\n0.763964 -0.000000 0.000000 Li\n0.236037 -0.000000 0.000000 Li\n0.000000 0.000000 0.000000 Ca\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Li",
"Ca"
],
"chemical_system": "Ba-Ca-Li",
"density": 0.16627913593455687,
"density_atomic": 0.002093935003204866,
"volume": 1910.2789694416551,
"volume_molar": 287.59922112113463,
"formula_full": "Ba1 Li2 Ca1",
"formula_reduced": "BaLi2Ca",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.55196199625,
"spacegroup": 71
},
{
"id": "jvasp-65781",
"created_at": "2022-09-04T14:36:13.126646Z",
"updated_at": "2022-09-04T14:36:13.126667Z",
"structure_string": "Ba1 Li1 Ca2\n1.0\n4.141907 0.000000 0.000000\n0.000000 4.141907 -0.000000\n0.000000 -0.000000 9.407807\nBa Li Ca\n1 1 2\ndirect\n0.500000 0.500000 0.714722 Ba\n0.000000 0.000000 0.467958 Li\n0.000000 0.000000 0.028107 Ca\n0.500000 0.500000 0.289213 Ca\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Li",
"Ca"
],
"chemical_system": "Ba-Ca-Li",
"density": 2.30902858999939,
"density_atomic": 0.024783971754618092,
"volume": 161.39463196630962,
"volume_molar": 24.2985297902378,
"formula_full": "Ba1 Li1 Ca2",
"formula_reduced": "BaLiCa2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.750000000000281e-05,
"spacegroup": 99
},
{
"id": "jvasp-64680",
"created_at": "2022-09-04T14:35:51.907260Z",
"updated_at": "2022-09-04T14:35:51.907288Z",
"structure_string": "Ba1 Li1 Ca1\n1.0\n0.000000 4.240527 4.240527\n4.240527 0.000000 4.240527\n4.240527 4.240527 -0.000000\nBa Li Ca\n1 1 1\ndirect\n0.750001 0.750001 0.750001 Ba\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Ca\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Li",
"Ca"
],
"chemical_system": "Ba-Ca-Li",
"density": 2.0072123575779055,
"density_atomic": 0.0196712410739417,
"volume": 152.50690023691848,
"volume_molar": 30.61393400326668,
"formula_full": "Ba1 Li1 Ca1",
"formula_reduced": "BaLiCa",
"formula_anonymous": "ABC",
"energy_above_hull": 0.2496193283333333,
"spacegroup": 216
},
{
"id": "jvasp-65566",
"created_at": "2022-09-04T14:35:52.001199Z",
"updated_at": "2022-09-04T14:35:52.001234Z",
"structure_string": "Ba1 Li1 Ca2\n1.0\n4.146900 0.000000 -0.000000\n-0.000000 4.146900 -0.000000\n0.000000 0.000000 9.389032\nBa Li Ca\n1 1 2\ndirect\n0.500000 0.500000 0.715019 Ba\n0.000000 0.000000 0.467773 Li\n0.000000 0.000000 0.028254 Ca\n0.500000 0.500000 0.288953 Ca\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Li",
"Ca"
],
"chemical_system": "Ba-Ca-Li",
"density": 2.308077840681478,
"density_atomic": 0.024773766881303443,
"volume": 161.4611140552375,
"volume_molar": 24.30853890267636,
"formula_full": "Ba1 Li1 Ca2",
"formula_reduced": "BaLiCa2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 99
},
{
"id": "jvasp-69274",
"created_at": "2022-09-04T14:36:15.203853Z",
"updated_at": "2022-09-04T14:36:15.203871Z",
"structure_string": "Ba1 Li2 Ca1\n1.0\n5.956701 -0.000000 0.000000\n0.000000 5.956701 0.000000\n-0.000000 0.000000 3.942091\nBa Li Ca\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Ba\n0.500000 0.000000 0.000000 Li\n0.000000 0.500000 0.000000 Li\n0.000000 0.000000 0.500000 Ca\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Li",
"Ca"
],
"chemical_system": "Ba-Ca-Li",
"density": 2.2708910891435066,
"density_atomic": 0.02859708353244686,
"volume": 139.87440346710582,
"volume_molar": 21.058583659998583,
"formula_full": "Ba1 Li2 Ca1",
"formula_reduced": "BaLi2Ca",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.24063699625,
"spacegroup": 123
},
{
"id": "jvasp-69311",
"created_at": "2022-09-04T14:36:14.445685Z",
"updated_at": "2022-09-04T14:36:14.445712Z",
"structure_string": "Ba1 Ca2 Mg1\n1.0\n4.232383 0.000000 0.000000\n0.000000 4.233321 0.000000\n0.000000 0.000000 9.010536\nBa Ca Mg\n1 2 1\ndirect\n0.500000 0.500000 0.717344 Ba\n0.000000 0.000000 0.032846 Ca\n0.500000 0.500000 0.284467 Ca\n0.000000 0.000000 0.465344 Mg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"Mg"
],
"chemical_system": "Ba-Ca-Mg",
"density": 2.486949988884265,
"density_atomic": 0.02477668519747403,
"volume": 161.44209639503342,
"volume_molar": 24.305675727009493,
"formula_full": "Ba1 Ca2 Mg1",
"formula_reduced": "BaCa2Mg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 99
},
{
"id": "jvasp-69136",
"created_at": "2022-09-04T14:36:14.534148Z",
"updated_at": "2022-09-04T14:36:14.534164Z",
"structure_string": "Ba1 Ca2 Mg1\n1.0\n4.232958 0.000000 0.000000\n0.000000 4.232958 0.000000\n0.000000 -0.000000 9.010209\nBa Ca Mg\n1 2 1\ndirect\n0.500000 0.500000 0.717346 Ba\n0.000000 0.000000 0.032908 Ca\n0.500000 0.500000 0.284466 Ca\n0.000000 0.000000 0.465282 Mg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"Mg"
],
"chemical_system": "Ba-Ca-Mg",
"density": 2.4869156578287117,
"density_atomic": 0.024776343168177204,
"volume": 161.44432505026043,
"volume_molar": 24.30601125889656,
"formula_full": "Ba1 Ca2 Mg1",
"formula_reduced": "BaCa2Mg",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.999999999998449e-05,
"spacegroup": 99
}
]
}