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=922",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=920",
"results": [
{
"id": "jvasp-1234",
"created_at": "2022-09-04T14:36:54.547862Z",
"updated_at": "2022-09-04T14:36:54.547892Z",
"structure_string": "Ba1 Ti1 O3\n1.0\n4.004435 0.000000 0.000000\n0.000000 4.004435 0.000000\n0.000000 0.000000 4.129701\nBa Ti O\n1 1 3\ndirect\n0.500001 0.500001 0.014194 Ba\n0.000000 0.000000 0.532053 Ti\n0.500001 0.000000 0.494264 O\n0.000000 0.500001 0.494264 O\n0.000000 0.000000 0.979223 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Ti",
"O"
],
"chemical_system": "Ba-O-Ti",
"density": 5.847389332696934,
"density_atomic": 0.07550381541962499,
"volume": 66.22181901949816,
"volume_molar": 7.975942310373261,
"formula_full": "Ba1 Ti1 O3",
"formula_reduced": "BaTiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.6327469606666667,
"spacegroup": 99
},
{
"id": "jvasp-57905",
"created_at": "2022-09-04T14:36:41.393317Z",
"updated_at": "2022-09-04T14:36:41.393341Z",
"structure_string": "Ba2 Ti8 O14\n1.0\n3.250228 -5.629560 0.000000\n3.250228 5.629560 -0.000000\n0.000000 0.000000 10.444847\nBa Ti O\n2 8 14\ndirect\n0.333333 0.666667 0.534056 Ba\n0.666667 0.333333 0.034055 Ba\n0.626443 0.813222 0.193534 Ti\n0.813222 0.626443 0.693534 Ti\n0.813222 0.186779 0.693534 Ti\n0.186779 0.813222 0.193534 Ti\n0.186778 0.373558 0.193534 Ti\n0.373558 0.186778 0.693534 Ti\n0.000000 0.000000 0.441573 Ti\n0.000000 0.000000 0.941573 Ti\n0.510299 0.489702 0.229232 O\n0.489702 0.510299 0.729232 O\n0.489702 0.979402 0.729232 O\n0.979402 0.489702 0.229232 O\n0.000000 0.000000 0.255336 O\n0.000000 0.000000 0.755336 O\n0.851527 0.703054 0.518263 O\n0.148474 0.296946 0.018263 O\n0.148474 0.851527 0.018263 O\n0.851527 0.148474 0.518263 O\n0.020598 0.510299 0.729232 O\n0.703054 0.851527 0.018263 O\n0.296946 0.148474 0.518263 O\n0.510299 0.020598 0.229232 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ba",
"Ti",
"O"
],
"chemical_system": "Ba-O-Ti",
"density": 3.8299337072456106,
"density_atomic": 0.0627900579444188,
"volume": 382.226116453732,
"volume_molar": 9.59091448096886,
"formula_full": "Ba2 Ti8 O14",
"formula_reduced": "BaTi4O7",
"formula_anonymous": "AB4C7",
"energy_above_hull": 3.0165644836111114,
"spacegroup": 186
},
{
"id": "jvasp-120867",
"created_at": "2022-09-04T14:38:53.851262Z",
"updated_at": "2022-09-04T14:38:53.851289Z",
"structure_string": "Ba1 Ti1 O2\n1.0\n3.162320 -0.000000 0.000000\n-0.000000 3.162320 -0.000000\n0.000000 0.000000 6.338419\nBa Ti O\n1 1 2\ndirect\n0.000000 0.000000 0.317644 Ba\n0.499999 0.499999 0.808325 Ti\n0.000000 0.000000 0.775122 O\n0.499999 0.499999 0.098910 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ti",
"O"
],
"chemical_system": "Ba-O-Ti",
"density": 5.68986480508283,
"density_atomic": 0.06310552978444972,
"volume": 63.38588731705202,
"volume_molar": 9.54296839051965,
"formula_full": "Ba1 Ti1 O2",
"formula_reduced": "BaTiO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.5398128258333337,
"spacegroup": 99
},
{
"id": "jvasp-9265",
"created_at": "2022-09-04T14:38:18.718003Z",
"updated_at": "2022-09-04T14:38:18.718025Z",
"structure_string": "Ba2 Ti2 Tl1 O7\n1.0\n3.894464 -0.000000 -0.000000\n-0.000000 3.894464 -0.000000\n-0.000000 0.000000 13.506308\nBa Ti Tl O\n2 2 1 7\ndirect\n0.000000 0.000000 0.294044 Ba\n0.000000 0.000000 0.705956 Ba\n0.499999 0.499999 0.152959 Ti\n0.499999 0.499999 0.847041 Ti\n0.499999 0.499999 0.500000 Tl\n0.000000 0.000000 0.500000 O\n0.000000 0.499999 0.141390 O\n0.499999 0.000000 0.141390 O\n0.000000 0.499999 0.858610 O\n0.499999 0.000000 0.858610 O\n0.499999 0.499999 0.290924 O\n0.499999 0.499999 0.709077 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Ba",
"Ti",
"Tl",
"O"
],
"chemical_system": "Ba-O-Ti-Tl",
"density": 5.567068214489314,
"density_atomic": 0.05857997872017272,
"volume": 204.84814542733278,
"volume_molar": 10.28020305156957,
"formula_full": "Ba2 Ti2 Tl1 O7",
"formula_reduced": "Ba2Ti2TlO7",
"formula_anonymous": "AB2C2D7",
"energy_above_hull": 2.162195475555556,
"spacegroup": 123
},
{
"id": "jvasp-9454",
"created_at": "2022-09-04T14:38:14.235775Z",
"updated_at": "2022-09-04T14:38:14.235803Z",
"structure_string": "Ba2 Ti3 Tl2 O10\n1.0\n3.971343 0.002938 -0.075525\n0.000412 3.978025 0.002816\n-0.393498 -0.250935 16.329087\nBa Ti Tl O\n2 3 2 10\ndirect\n0.820672 0.773015 0.258569 Ba\n0.283489 0.297584 0.738628 Ba\n0.827631 0.805725 0.859513 Ti\n0.303821 0.243992 0.134395 Ti\n0.746453 0.320806 0.995285 Ti\n0.171831 0.278857 0.435945 Tl\n0.771826 0.787983 0.585997 Tl\n0.305143 0.794024 0.139638 O\n0.339073 0.296204 0.248887 O\n0.804989 0.294476 0.114918 O\n0.298566 0.307253 0.007944 O\n0.761018 0.796552 0.726817 O\n0.276087 0.803831 0.846824 O\n0.510516 0.780140 0.471316 O\n0.783716 0.304950 0.868605 O\n0.052264 0.287503 0.584798 O\n0.792423 0.808384 0.974974 O\n",
"nsites": 17,
"nelements": 4,
"elements": [
"Ba",
"Ti",
"Tl",
"O"
],
"chemical_system": "Ba-O-Ti-Tl",
"density": 6.356245746485121,
"density_atomic": 0.06592899973041133,
"volume": 257.85314610435904,
"volume_molar": 9.1342820073488,
"formula_full": "Ba2 Ti3 Tl2 O10",
"formula_reduced": "Ba2Ti3Tl2O10",
"formula_anonymous": "A2B2C3D10",
"energy_above_hull": 2.3407939494117653,
"spacegroup": 1
},
{
"id": "jvasp-9263",
"created_at": "2022-09-04T14:38:32.711696Z",
"updated_at": "2022-09-04T14:38:32.711740Z",
"structure_string": "Ba2 Y1 Ti2 Tl1 O7\n1.0\n3.946873 0.000000 0.000000\n0.000000 3.946873 -0.000000\n0.000000 0.000000 13.107449\nBa Y Ti Tl O\n2 1 2 1 7\ndirect\n0.500000 0.500000 0.806837 Ba\n0.500000 0.500000 0.193196 Ba\n0.500000 0.500000 0.499995 Y\n0.000000 0.000000 0.633211 Ti\n0.000000 0.000000 0.366778 Ti\n0.000000 0.000000 0.000017 Tl\n0.000000 0.000000 0.777305 O\n0.500000 0.000000 0.610426 O\n0.000000 0.500000 0.610426 O\n0.000000 0.500000 0.389553 O\n0.500000 0.500000 0.000018 O\n0.500000 0.000000 0.389553 O\n0.000000 0.000000 0.222682 O\n",
"nsites": 13,
"nelements": 5,
"elements": [
"Ba",
"Y",
"Ti",
"Tl",
"O"
],
"chemical_system": "Ba-O-Ti-Tl-Y",
"density": 6.308168176165458,
"density_atomic": 0.06366765750961617,
"volume": 204.18530394394548,
"volume_molar": 9.458712626721713,
"formula_full": "Ba2 Y1 Ti2 Tl1 O7",
"formula_reduced": "Ba2YTi2TlO7",
"formula_anonymous": "ABC2D2E7",
"energy_above_hull": 2.2643423966666667,
"spacegroup": 123
},
{
"id": "jvasp-108899",
"created_at": "2022-09-04T14:38:20.515013Z",
"updated_at": "2022-09-04T14:38:20.515038Z",
"structure_string": "Ba2 U1 Ti1 O6\n1.0\n5.165421 -0.000000 2.982257\n1.721807 4.870005 2.982257\n0.000000 -0.000000 5.964514\nBa U Ti O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750001 0.750000 Ba\n0.500000 0.500000 0.500000 U\n0.000000 0.000000 0.000000 Ti\n0.759105 0.240896 0.240896 O\n0.240896 0.759105 0.759104 O\n0.240896 0.759105 0.240895 O\n0.759105 0.240896 0.759104 O\n0.240895 0.240896 0.759104 O\n0.759105 0.759105 0.240896 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"U",
"Ti",
"O"
],
"chemical_system": "Ba-O-Ti-U",
"density": 7.266148493922743,
"density_atomic": 0.06664841209538823,
"volume": 150.04108403494814,
"volume_molar": 9.035685278414466,
"formula_full": "Ba2 U1 Ti1 O6",
"formula_reduced": "Ba2UTiO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.509045727333333,
"spacegroup": 225
},
{
"id": "jvasp-9186",
"created_at": "2022-09-04T14:38:11.855954Z",
"updated_at": "2022-09-04T14:38:11.855979Z",
"structure_string": "Ba2 Y1 Ti3 O7\n1.0\n3.966753 0.000000 0.000000\n0.000000 4.004007 0.000000\n0.000000 0.000000 11.446827\nBa Y Ti O\n2 1 3 7\ndirect\n0.500000 0.500000 0.823468 Ba\n0.500000 0.500000 0.176532 Ba\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.638257 Ti\n0.000000 0.000000 0.361745 Ti\n0.000000 0.000000 -0.000002 Ti\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.629657 O\n0.500000 0.000000 0.370342 O\n0.000000 0.500000 0.629927 O\n0.000000 0.500000 0.370072 O\n0.000000 0.000000 0.826633 O\n0.000000 0.000000 0.173368 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Ba",
"Y",
"Ti",
"O"
],
"chemical_system": "Ba-O-Ti-Y",
"density": 5.655025050692696,
"density_atomic": 0.07150365570470131,
"volume": 181.80888615944232,
"volume_molar": 8.422143875930598,
"formula_full": "Ba2 Y1 Ti3 O7",
"formula_reduced": "Ba2YTi3O7",
"formula_anonymous": "AB2C3D7",
"energy_above_hull": 2.672416683846154,
"spacegroup": 47
},
{
"id": "jvasp-9308",
"created_at": "2022-09-04T14:38:11.273294Z",
"updated_at": "2022-09-04T14:38:11.273319Z",
"structure_string": "Ba2 Y1 Ti3 O8\n1.0\n3.990431 0.000000 0.000000\n0.000000 3.990431 0.000000\n0.000000 -0.000000 11.485401\nBa Y Ti O\n2 1 3 8\ndirect\n0.500000 0.500000 0.171181 Ba\n0.500000 0.500000 0.828820 Ba\n0.500000 0.500000 0.499999 Y\n0.000000 0.000000 0.353585 Ti\n0.000000 0.000000 0.000002 Ti\n0.000000 0.000000 0.646413 Ti\n0.000000 0.500000 0.372542 O\n0.500000 0.000000 0.372542 O\n0.500000 0.000000 -0.000000 O\n0.000000 0.000000 0.182787 O\n0.000000 0.500000 0.627458 O\n0.500000 0.000000 0.627458 O\n0.000000 0.000000 0.817213 O\n0.000000 0.500000 -0.000000 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ba",
"Y",
"Ti",
"O"
],
"chemical_system": "Ba-O-Ti-Y",
"density": 5.766917819642628,
"density_atomic": 0.07654948295389553,
"volume": 182.88823725213095,
"volume_molar": 7.866990772004345,
"formula_full": "Ba2 Y1 Ti3 O8",
"formula_reduced": "Ba2YTi3O8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.695457885,
"spacegroup": 123
},
{
"id": "jvasp-58135",
"created_at": "2022-09-04T14:37:38.495155Z",
"updated_at": "2022-09-04T14:37:38.495188Z",
"structure_string": "Ba1 Ti4 Zn1 O8\n1.0\n2.703170 -4.682027 0.000000\n2.703170 4.682027 0.000000\n0.000000 -0.000000 7.446853\nBa Ti Zn O\n1 4 1 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666667 0.746223 Ti\n0.666667 0.333333 0.746223 Ti\n0.333333 0.666667 0.253776 Ti\n0.666667 0.333333 0.253776 Ti\n0.000000 0.000000 0.500000 Zn\n0.683182 -0.000000 0.674386 O\n-0.000000 0.683182 0.674386 O\n0.316819 0.316819 0.674386 O\n0.316819 -0.000000 0.325614 O\n0.683181 0.683181 0.325614 O\n-0.000000 0.316819 0.325614 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ba",
"Ti",
"Zn",
"O"
],
"chemical_system": "Ba-O-Ti-Zn",
"density": 4.600184498377133,
"density_atomic": 0.07427078021773856,
"volume": 188.49943354514932,
"volume_molar": 8.108358014208248,
"formula_full": "Ba1 Ti4 Zn1 O8",
"formula_reduced": "BaTi4ZnO8",
"formula_anonymous": "ABC4D8",
"energy_above_hull": 2.7015612645238094,
"spacegroup": 162
},
{
"id": "jvasp-120868",
"created_at": "2022-09-04T14:38:49.489968Z",
"updated_at": "2022-09-04T14:38:49.490007Z",
"structure_string": "Ba1 Tl1 O1\n1.0\n3.876571 1.558759 0.000000\n1.366294 7.492722 0.000000\n0.000000 0.000000 3.914780\nBa Tl O\n1 1 1\ndirect\n-0.002605 -0.107134 0.000000 Ba\n-0.034197 0.425835 0.000000 Tl\n0.313305 0.081957 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Tl",
"O"
],
"chemical_system": "Ba-O-Tl",
"density": 5.637107998443931,
"density_atomic": 0.028470677080618227,
"volume": 105.37157200389477,
"volume_molar": 21.152081290330983,
"formula_full": "Ba1 Tl1 O1",
"formula_reduced": "BaTlO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0491206899999999,
"spacegroup": 25
},
{
"id": "jvasp-120872",
"created_at": "2022-09-04T14:38:53.345277Z",
"updated_at": "2022-09-04T14:38:53.345297Z",
"structure_string": "Ba1 Tl1 O2\n1.0\n3.746186 -0.000000 0.000000\n-0.000000 3.746186 0.000000\n-0.000000 -0.000000 5.601150\nBa Tl O\n1 1 2\ndirect\n0.500001 0.500001 0.525160 Ba\n0.000000 0.000000 0.034129 Tl\n0.000000 0.000000 0.442175 O\n0.500001 0.500001 0.008537 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Tl",
"O"
],
"chemical_system": "Ba-O-Tl",
"density": 7.894541178300191,
"density_atomic": 0.050886679749323226,
"volume": 78.60603245691617,
"volume_molar": 11.834414801016944,
"formula_full": "Ba1 Tl1 O2",
"formula_reduced": "BaTlO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5506338924999999,
"spacegroup": 99
}
]
}