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_full&page=285",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_full&page=283",
"results": [
{
"id": "jvasp-66379",
"created_at": "2022-09-04T14:35:57.569885Z",
"updated_at": "2022-09-04T14:35:57.569916Z",
"structure_string": "Ba1 Ti1 Br1\n1.0\n-0.000000 4.063953 4.063953\n4.063953 -0.000000 4.063953\n4.063953 4.063953 0.000000\nBa Ti Br\n1 1 1\ndirect\n0.749999 0.749999 0.749999 Ba\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Br\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Ti",
"Br"
],
"chemical_system": "Ba-Br-Ti",
"density": 3.2792877230443525,
"density_atomic": 0.022348337898668708,
"volume": 134.238170802792,
"volume_molar": 26.94670533131119,
"formula_full": "Ba1 Ti1 Br1",
"formula_reduced": "BaTiBr",
"formula_anonymous": "ABC",
"energy_above_hull": 1.1305494694444445,
"spacegroup": 216
},
{
"id": "jvasp-66121",
"created_at": "2022-09-04T14:36:17.083177Z",
"updated_at": "2022-09-04T14:36:17.083204Z",
"structure_string": "Ba1 Ti1 Cd1\n1.0\n-0.000000 3.755579 3.755579\n3.755579 -0.000000 3.755579\n3.755579 3.755579 -0.000000\nBa Ti Cd\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Ti",
"Cd"
],
"chemical_system": "Ba-Cd-Ti",
"density": 4.66475264209318,
"density_atomic": 0.028317868010592856,
"volume": 105.94017879021793,
"volume_molar": 21.26622229380863,
"formula_full": "Ba1 Ti1 Cd1",
"formula_reduced": "BaTiCd",
"formula_anonymous": "ABC",
"energy_above_hull": 0.8718680177777776,
"spacegroup": 216
},
{
"id": "jvasp-66503",
"created_at": "2022-09-04T14:36:05.097115Z",
"updated_at": "2022-09-04T14:36:05.097143Z",
"structure_string": "Ba1 Ti1 Cd1\n1.0\n0.000000 3.756835 3.756835\n3.756835 0.000000 3.756835\n3.756835 3.756835 -0.000000\nBa Ti Cd\n1 1 1\ndirect\n0.749999 0.749999 0.749999 Ba\n0.499999 0.499999 0.499999 Ti\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Ti",
"Cd"
],
"chemical_system": "Ba-Cd-Ti",
"density": 4.660075590194785,
"density_atomic": 0.02828947547866258,
"volume": 106.04650490118698,
"volume_molar": 21.28756598736593,
"formula_full": "Ba1 Ti1 Cd1",
"formula_reduced": "BaTiCd",
"formula_anonymous": "ABC",
"energy_above_hull": 0.8722146844444443,
"spacegroup": 216
},
{
"id": "jvasp-2775",
"created_at": "2022-09-04T14:36:41.750725Z",
"updated_at": "2022-09-04T14:36:41.750750Z",
"structure_string": "Ba1 Ti1 F6\n1.0\n4.888123 -0.012577 -0.670952\n-0.767647 4.827486 -0.670952\n-0.010763 -0.012577 4.933944\nBa Ti F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ti\n0.422986 0.773629 0.773629 F\n0.773628 0.773629 0.422986 F\n0.577014 0.226371 0.226371 F\n0.226371 0.577014 0.226371 F\n0.226371 0.226371 0.577014 F\n0.773628 0.422985 0.773628 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ba",
"Ti",
"F"
],
"chemical_system": "Ba-F-Ti",
"density": 4.271860594887973,
"density_atomic": 0.06878899880466231,
"volume": 116.29766589156672,
"volume_molar": 8.754511425730822,
"formula_full": "Ba1 Ti1 F6",
"formula_reduced": "BaTiF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 166
},
{
"id": "jvasp-66360",
"created_at": "2022-09-04T14:36:18.502313Z",
"updated_at": "2022-09-04T14:36:18.502337Z",
"structure_string": "Ba1 Ti1 Hg1\n1.0\n0.000000 3.877866 3.877866\n3.877866 -0.000000 3.877866\n3.877866 3.877866 0.000000\nBa Ti Hg\n1 1 1\ndirect\n0.750001 0.750001 0.750001 Ba\n0.500001 0.500001 0.500001 Ti\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Ti",
"Hg"
],
"chemical_system": "Ba-Hg-Ti",
"density": 5.492687863675651,
"density_atomic": 0.025722481604132954,
"volume": 116.62949345905939,
"volume_molar": 23.4119742125985,
"formula_full": "Ba1 Ti1 Hg1",
"formula_reduced": "BaTiHg",
"formula_anonymous": "ABC",
"energy_above_hull": 0.897486301111111,
"spacegroup": 216
},
{
"id": "jvasp-66479",
"created_at": "2022-09-04T14:36:20.961159Z",
"updated_at": "2022-09-04T14:36:20.961184Z",
"structure_string": "Ba1 Ti1 Hg1\n1.0\n0.000000 3.877341 3.877341\n3.877341 -0.000000 3.877341\n3.877341 3.877341 -0.000000\nBa Ti Hg\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Ti",
"Hg"
],
"chemical_system": "Ba-Hg-Ti",
"density": 5.494919329723962,
"density_atomic": 0.02573293165077724,
"volume": 116.58213066094191,
"volume_molar": 23.402466698030135,
"formula_full": "Ba1 Ti1 Hg1",
"formula_reduced": "BaTiHg",
"formula_anonymous": "ABC",
"energy_above_hull": 0.8976829677777777,
"spacegroup": 216
},
{
"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-110",
"created_at": "2022-09-04T14:36:42.770502Z",
"updated_at": "2022-09-04T14:36:42.770528Z",
"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-4975",
"created_at": "2022-09-04T14:38:35.574115Z",
"updated_at": "2022-09-04T14:38:35.574145Z",
"structure_string": "Ba1 Ti1 O3\n1.0\n4.108220 0.000000 0.000000\n0.000000 4.108220 0.000000\n0.000000 0.000000 5.000319\nBa Ti O\n1 1 3\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.500000 Ti\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Ti",
"O"
],
"chemical_system": "Ba-O-Ti",
"density": 4.588365658845112,
"density_atomic": 0.059246801276938856,
"volume": 84.39274175543032,
"volume_molar": 10.164499399470618,
"formula_full": "Ba1 Ti1 O3",
"formula_reduced": "BaTiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.0058789606666667,
"spacegroup": 123
},
{
"id": "jvasp-1231",
"created_at": "2022-09-04T14:37:16.446664Z",
"updated_at": "2022-09-04T14:37:16.446686Z",
"structure_string": "Ba1 Ti1 O3\n1.0\n4.051447 0.001750 0.010947\n0.010922 4.051433 0.010947\n0.001754 0.001750 4.051461\nBa Ti O\n1 1 3\ndirect\n0.999306 0.999306 0.999308 Ba\n0.486016 0.486016 0.486017 Ti\n0.020290 0.511644 0.511644 O\n0.511644 0.511644 0.020291 O\n0.511644 0.020291 0.511644 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Ti",
"O"
],
"chemical_system": "Ba-O-Ti",
"density": 5.8228305291613704,
"density_atomic": 0.07518670238617134,
"volume": 66.50112109345045,
"volume_molar": 8.009582238451273,
"formula_full": "Ba1 Ti1 O3",
"formula_reduced": "BaTiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.6323609606666667,
"spacegroup": 160
},
{
"id": "jvasp-92305",
"created_at": "2022-09-04T14:35:42.503500Z",
"updated_at": "2022-09-04T14:35:42.503521Z",
"structure_string": "Ba1 Ti1 O3\n1.0\n0.000000 -2.873928 -2.887560\n0.000000 -2.873928 2.887560\n-3.999092 0.000000 0.000000\nBa Ti O\n1 1 3\ndirect\n0.312110 0.687891 0.000000 Ba\n0.827201 0.172800 0.500000 Ti\n0.795886 0.204115 0.000000 O\n-0.201149 0.713246 0.500000 O\n0.286754 0.201149 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Ti",
"O"
],
"chemical_system": "Ba-O-Ti",
"density": 5.833978515982639,
"density_atomic": 0.07533064962336776,
"volume": 66.3740459560432,
"volume_molar": 7.9942769511600185,
"formula_full": "Ba1 Ti1 O3",
"formula_reduced": "BaTiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.6325369606666666,
"spacegroup": 38
},
{
"id": "jvasp-8029",
"created_at": "2022-09-04T14:37:04.760702Z",
"updated_at": "2022-09-04T14:37:04.760738Z",
"structure_string": "Ba1 Ti1 O3\n1.0\n4.024550 -0.000000 0.000000\n0.000000 4.024550 -0.000000\n0.000000 -0.000000 4.024550\nBa Ti O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ti\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Ti",
"O"
],
"chemical_system": "Ba-O-Ti",
"density": 5.940337706271852,
"density_atomic": 0.0767040017664982,
"volume": 65.18564722634636,
"volume_molar": 7.851142862575228,
"formula_full": "Ba1 Ti1 O3",
"formula_reduced": "BaTiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.6338729606666669,
"spacegroup": 221
}
]
}