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=id&page=3576",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=id&page=3574",
"results": [
{
"id": "jvasp-69183",
"created_at": "2022-09-04T14:36:20.424264Z",
"updated_at": "2022-09-04T14:36:20.424283Z",
"structure_string": "Ba1 In2 Te1\n1.0\n4.277383 0.000000 -0.000000\n-0.000000 4.277383 0.000000\n0.000000 0.000000 7.340858\nBa In Te\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.296447 In\n0.000000 0.000000 0.703553 In\n0.500000 0.500000 0.500000 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"In",
"Te"
],
"chemical_system": "Ba-In-Te",
"density": 6.114593893679785,
"density_atomic": 0.02978220783253204,
"volume": 134.3083770851493,
"volume_molar": 20.22059880134819,
"formula_full": "Ba1 In2 Te1",
"formula_reduced": "BaIn2Te",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 123
},
{
"id": "jvasp-69184",
"created_at": "2022-09-04T14:35:41.146675Z",
"updated_at": "2022-09-04T14:35:41.146696Z",
"structure_string": "Ba1 Hg1 Se4\n1.0\n-0.000000 4.280252 4.280252\n4.280252 0.000000 4.280252\n4.280252 4.280252 0.000000\nBa Hg Se\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Hg\n0.122856 0.625714 0.625714 Se\n0.625714 0.625714 0.625714 Se\n0.625714 0.122856 0.625714 Se\n0.625714 0.625714 0.122856 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Hg",
"Se"
],
"chemical_system": "Ba-Hg-Se",
"density": 6.921933732399398,
"density_atomic": 0.03825720500030446,
"volume": 156.83320305161473,
"volume_molar": 15.741193743641423,
"formula_full": "Ba1 Hg1 Se4",
"formula_reduced": "BaHgSe4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.6526047625,
"spacegroup": 216
},
{
"id": "jvasp-69186",
"created_at": "2022-09-04T14:35:43.541548Z",
"updated_at": "2022-09-04T14:35:43.541578Z",
"structure_string": "Ba1 Na2 P1\n1.0\n4.252109 0.000000 0.000000\n0.000000 4.252109 0.000000\n-0.000000 0.000000 6.686664\nBa Na P\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.813826 Na\n0.000000 0.000000 0.186173 Na\n0.500000 0.500000 0.000000 P\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Na",
"P"
],
"chemical_system": "Ba-Na-P",
"density": 2.943154533994967,
"density_atomic": 0.033085805539669,
"volume": 120.89776672368176,
"volume_molar": 18.201584219491387,
"formula_full": "Ba1 Na2 P1",
"formula_reduced": "BaNa2P",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.2947948675,
"spacegroup": 123
},
{
"id": "jvasp-69187",
"created_at": "2022-09-04T14:35:44.635729Z",
"updated_at": "2022-09-04T14:35:44.635759Z",
"structure_string": "Ba1 Ge2 Cl1\n1.0\n4.302828 0.000000 0.000000\n-0.000000 4.302828 -0.000000\n0.000000 -0.000000 6.249738\nBa Ge Cl\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.696657 Ge\n0.000000 0.000000 0.303343 Ge\n0.500000 0.500000 0.500000 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ge",
"Cl"
],
"chemical_system": "Ba-Cl-Ge",
"density": 4.564449101602804,
"density_atomic": 0.034569269938007685,
"volume": 115.70970423075502,
"volume_molar": 17.420503154389355,
"formula_full": "Ba1 Ge2 Cl1",
"formula_reduced": "BaGe2Cl",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.3516892275,
"spacegroup": 123
},
{
"id": "jvasp-69188",
"created_at": "2022-09-04T14:35:46.720552Z",
"updated_at": "2022-09-04T14:35:46.720572Z",
"structure_string": "Ba2 Ti1 Bi1\n1.0\n0.000000 4.234963 4.234963\n4.234963 0.000000 4.234963\n4.234963 4.234963 -0.000000\nBa Ti Bi\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.749999 0.749999 0.749999 Ba\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ti",
"Bi"
],
"chemical_system": "Ba-Bi-Ti",
"density": 5.809980216595005,
"density_atomic": 0.02633183558067143,
"volume": 151.90737416483614,
"volume_molar": 22.870189742565763,
"formula_full": "Ba2 Ti1 Bi1",
"formula_reduced": "Ba2TiBi",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.0593211433333334,
"spacegroup": 225
},
{
"id": "jvasp-69189",
"created_at": "2022-09-04T14:35:49.481467Z",
"updated_at": "2022-09-04T14:35:49.481496Z",
"structure_string": "Ba2 Y1 Zn1\n1.0\n0.000000 4.229137 4.229137\n4.229137 0.000000 4.229137\n4.229137 4.229137 -0.000000\nBa Y Zn\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Y",
"Zn"
],
"chemical_system": "Ba-Y-Zn",
"density": 4.708576125835963,
"density_atomic": 0.026440808668283276,
"volume": 151.28130346475172,
"volume_molar": 22.775932595525262,
"formula_full": "Ba2 Y1 Zn1",
"formula_reduced": "Ba2YZn",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.2616819474999999,
"spacegroup": 225
},
{
"id": "jvasp-69191",
"created_at": "2022-09-04T14:36:10.826599Z",
"updated_at": "2022-09-04T14:36:10.826613Z",
"structure_string": "Ba1 Cd2 Se1\n1.0\n4.277399 0.000000 0.000000\n0.000000 4.277241 0.000000\n0.000000 0.000000 7.105166\nBa Cd Se\n1 2 1\ndirect\n0.500000 0.500000 0.684530 Ba\n0.000000 0.000000 0.120295 Cd\n0.500000 0.500000 0.167015 Cd\n0.000000 0.000000 0.528161 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Cd",
"Se"
],
"chemical_system": "Ba-Cd-Se",
"density": 5.6347843879712975,
"density_atomic": 0.03077104729066085,
"volume": 129.9923256500281,
"volume_molar": 19.57080206960569,
"formula_full": "Ba1 Cd2 Se1",
"formula_reduced": "BaCd2Se",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.4999999999990308e-06,
"spacegroup": 99
},
{
"id": "jvasp-69195",
"created_at": "2022-09-04T14:36:11.770358Z",
"updated_at": "2022-09-04T14:36:11.770382Z",
"structure_string": "Ba1 Zr4 Ti1\n1.0\n-0.000000 4.245161 4.245161\n4.245161 -0.000000 4.245161\n4.245161 4.245161 0.000000\nBa Zr Ti\n1 4 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.116861 0.627713 0.627713 Zr\n0.627713 0.627713 0.627713 Zr\n0.627713 0.116861 0.627713 Zr\n0.627713 0.627713 0.116861 Zr\n0.000000 0.000000 0.000000 Ti\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Zr",
"Ti"
],
"chemical_system": "Ba-Ti-Zr",
"density": 5.969945337470831,
"density_atomic": 0.0392137844689188,
"volume": 153.00742025436628,
"volume_molar": 15.35720370160448,
"formula_full": "Ba1 Zr4 Ti1",
"formula_reduced": "BaZr4Ti",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.9560703838888895,
"spacegroup": 216
},
{
"id": "jvasp-69196",
"created_at": "2022-09-04T14:36:12.266740Z",
"updated_at": "2022-09-04T14:36:12.266767Z",
"structure_string": "K1 Ba2 Ni1\n1.0\n0.000000 4.180299 4.180299\n4.180299 0.000000 4.180299\n4.180299 4.180299 -0.000000\nK Ba Ni\n1 2 1\ndirect\n0.000000 0.000000 0.000000 K\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Ba",
"Ni"
],
"chemical_system": "Ba-K-Ni",
"density": 4.23311461685943,
"density_atomic": 0.02737839323665231,
"volume": 146.1006117278305,
"volume_molar": 21.995961223677558,
"formula_full": "K1 Ba2 Ni1",
"formula_reduced": "KBa2Ni",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-69197",
"created_at": "2022-09-04T14:36:14.896839Z",
"updated_at": "2022-09-04T14:36:14.896857Z",
"structure_string": "Ba2 Y1 Zr1\n1.0\n-0.000000 4.213238 4.213238\n4.213238 0.000000 4.213238\n4.213238 4.213238 0.000000\nBa Y Zr\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Zr\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Y",
"Zr"
],
"chemical_system": "Ba-Y-Zr",
"density": 5.048660393595754,
"density_atomic": 0.026741269330630382,
"volume": 149.58153072480596,
"volume_molar": 22.52002582802616,
"formula_full": "Ba2 Y1 Zr1",
"formula_reduced": "Ba2YZr",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.8334254725,
"spacegroup": 225
},
{
"id": "jvasp-69198",
"created_at": "2022-09-04T14:36:16.154820Z",
"updated_at": "2022-09-04T14:36:16.154845Z",
"structure_string": "Ba1 Ca1 Ta2\n1.0\n-2.127989 2.127989 5.464261\n2.127989 -2.127989 5.464261\n2.127989 2.127989 -5.464261\nBa Ca Ta\n1 1 2\ndirect\n0.250000 0.750000 0.500000 Ba\n0.750000 0.250000 0.500000 Ca\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.000000 Ta\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"Ta"
],
"chemical_system": "Ba-Ca-Ta",
"density": 9.047944873356077,
"density_atomic": 0.04041381112453879,
"volume": 98.97606508016878,
"volume_molar": 14.901194894592425,
"formula_full": "Ba1 Ca1 Ta2",
"formula_reduced": "BaCaTa2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.4430661974999994,
"spacegroup": 139
},
{
"id": "jvasp-69199",
"created_at": "2022-09-04T14:36:16.854716Z",
"updated_at": "2022-09-04T14:36:16.854731Z",
"structure_string": "Ba2 Tl1 Cd1\n1.0\n-0.000000 4.230486 4.230486\n4.230486 -0.000000 4.230486\n4.230486 4.230486 -0.000000\nBa Tl Cd\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750001 0.750001 0.750001 Ba\n0.500001 0.500001 0.500001 Tl\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Tl",
"Cd"
],
"chemical_system": "Ba-Cd-Tl",
"density": 6.485823158974993,
"density_atomic": 0.026415522723668705,
"volume": 151.42611569128405,
"volume_molar": 22.79773458582393,
"formula_full": "Ba2 Tl1 Cd1",
"formula_reduced": "Ba2TlCd",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.4999999999886224e-06,
"spacegroup": 225
}
]
}