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=elements&page=3410",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=3408",
"results": [
{
"id": "jvasp-35086",
"created_at": "2022-09-04T14:37:30.574329Z",
"updated_at": "2022-09-04T14:37:30.574359Z",
"structure_string": "Ta1 Ti2 N3\n1.0\n2.527338 -4.377479 0.000000\n2.527338 4.377479 -0.000000\n0.000000 -0.000000 2.867761\nTa Ti N\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Ta\n0.333333 0.666667 0.500000 Ti\n0.666667 0.333333 0.500000 Ti\n0.000000 0.500000 0.000000 N\n0.500000 0.500000 0.000000 N\n0.500000 0.000000 0.000000 N\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ta",
"Ti",
"N"
],
"chemical_system": "N-Ta-Ti",
"density": 8.340143257730457,
"density_atomic": 0.09455639404682953,
"volume": 63.454196413501876,
"volume_molar": 6.368835043579925,
"formula_full": "Ta1 Ti2 N3",
"formula_reduced": "TaTi2N3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 5.320127602777778,
"spacegroup": 191
},
{
"id": "jvasp-101109",
"created_at": "2022-09-04T14:36:35.843137Z",
"updated_at": "2022-09-04T14:36:35.843160Z",
"structure_string": "Ta1 Ti1 N2\n1.0\n3.077448 -0.000000 0.000000\n0.000000 3.077448 0.000000\n0.000000 -0.000000 4.330050\nTa Ti N\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.500000 N\n0.500000 0.500000 -0.000000 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Ti",
"N"
],
"chemical_system": "N-Ta-Ti",
"density": 10.399622687440433,
"density_atomic": 0.09754064730924283,
"volume": 41.00854474871795,
"volume_molar": 6.1739807209884585,
"formula_full": "Ta1 Ti1 N2",
"formula_reduced": "TaTiN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.831131008333333,
"spacegroup": 123
},
{
"id": "jvasp-106469",
"created_at": "2022-09-04T14:36:51.346446Z",
"updated_at": "2022-09-04T14:36:51.346467Z",
"structure_string": "Ta1 Ti1 O4\n1.0\n4.752623 0.004130 0.000000\n-0.089172 4.751789 0.000000\n0.000000 -0.000000 3.017620\nTa Ti O\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.500000 Ti\n0.201171 0.798829 0.500000 O\n0.798828 0.201171 0.500000 O\n0.301400 0.301400 -0.000000 O\n0.698600 0.698601 -0.000000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ta",
"Ti",
"O"
],
"chemical_system": "O-Ta-Ti",
"density": 7.134713451880928,
"density_atomic": 0.08804183900428149,
"volume": 68.1494170028436,
"volume_molar": 6.840089698384359,
"formula_full": "Ta1 Ti1 O4",
"formula_reduced": "TaTiO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.218193588888889,
"spacegroup": 65
},
{
"id": "jvasp-119480",
"created_at": "2022-09-04T14:38:52.569589Z",
"updated_at": "2022-09-04T14:38:52.569618Z",
"structure_string": "Ta4 Ti2 O12\n1.0\n5.350590 0.002457 1.893228\n0.979224 5.260223 1.893228\n-0.004283 -0.003561 7.410144\nTa Ti O\n4 2 12\ndirect\n0.321128 0.321128 0.177568 Ta\n0.678872 0.678872 0.822432 Ta\n0.000000 0.000000 0.500000 Ta\n0.000000 0.000000 0.000000 Ta\n0.346507 0.346507 0.650764 Ti\n0.653493 0.653493 0.349236 Ti\n0.383469 0.960080 0.330200 O\n0.616531 0.039920 0.669800 O\n0.299813 0.700186 0.000000 O\n0.960080 0.383470 0.330200 O\n0.094207 0.094207 0.702781 O\n0.905792 0.905793 0.297219 O\n0.434901 0.434902 0.356021 O\n0.700186 0.299814 0.000000 O\n0.565098 0.565098 0.643979 O\n0.229992 0.229992 0.969379 O\n0.770007 0.770008 0.030621 O\n0.039920 0.616531 0.669800 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ta",
"Ti",
"O"
],
"chemical_system": "O-Ta-Ti",
"density": 8.051510560771376,
"density_atomic": 0.08628335461074627,
"volume": 208.61497656418388,
"volume_molar": 6.979493075075648,
"formula_full": "Ta4 Ti2 O12",
"formula_reduced": "Ta2TiO6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.836073081481482,
"spacegroup": 12
},
{
"id": "jvasp-40237",
"created_at": "2022-09-04T14:37:46.664143Z",
"updated_at": "2022-09-04T14:37:46.664160Z",
"structure_string": "Ta1 Ti1 Os2\n1.0\n0.000000 3.148460 3.148460\n3.148460 -0.000000 3.148460\n3.148460 3.148460 -0.000000\nTa Ti Os\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Ta\n0.750000 0.750000 0.750000 Ti\n0.000000 0.000000 0.000000 Os\n0.500000 0.500000 0.500000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Ti",
"Os"
],
"chemical_system": "Os-Ta-Ti",
"density": 16.208313726013255,
"density_atomic": 0.06408191112295548,
"volume": 62.42011091593547,
"volume_molar": 9.397567354764398,
"formula_full": "Ta1 Ti1 Os2",
"formula_reduced": "TaTiOs2",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.480106883333333,
"spacegroup": 225
},
{
"id": "jvasp-80086",
"created_at": "2022-09-04T14:37:16.885653Z",
"updated_at": "2022-09-04T14:37:16.885684Z",
"structure_string": "Ta1 Ti1 Re2\n1.0\n-0.000000 3.163737 3.163737\n3.163737 -0.000000 3.163737\n3.163737 3.163737 -0.000000\nTa Ti Re\n1 1 2\ndirect\n0.249999 0.249999 0.249999 Ta\n0.750000 0.750000 0.750000 Ti\n0.000000 0.000000 0.000000 Re\n0.500000 0.500000 0.500000 Re\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Ti",
"Re"
],
"chemical_system": "Re-Ta-Ti",
"density": 15.763687421835673,
"density_atomic": 0.06315807356675356,
"volume": 63.33315400717989,
"volume_molar": 9.535029205149886,
"formula_full": "Ta1 Ti1 Re2",
"formula_reduced": "TaTiRe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.9781833833333335,
"spacegroup": 225
},
{
"id": "jvasp-41761",
"created_at": "2022-09-04T14:37:30.344211Z",
"updated_at": "2022-09-04T14:37:30.344235Z",
"structure_string": "Ta1 Ti1 Ru2\n1.0\n0.000013 3.128145 3.128145\n3.128145 0.000013 3.128145\n3.128145 3.128145 0.000013\nTa Ti Ru\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Ta\n0.750001 0.750001 0.750001 Ti\n0.000001 0.000001 0.000001 Ru\n0.499999 0.499999 0.499999 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Ti",
"Ru"
],
"chemical_system": "Ru-Ta-Ti",
"density": 11.689420573748952,
"density_atomic": 0.06533893861211947,
"volume": 61.219237486328794,
"volume_molar": 9.216771634063514,
"formula_full": "Ta1 Ti1 Ru2",
"formula_reduced": "TaTiRu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.743014633333333,
"spacegroup": 225
},
{
"id": "jvasp-41764",
"created_at": "2022-09-04T14:37:31.235532Z",
"updated_at": "2022-09-04T14:37:31.235551Z",
"structure_string": "Ta1 Ti1 Tc2\n1.0\n0.000002 3.144342 3.144342\n3.144342 0.000001 3.144343\n3.144343 3.144344 0.000000\nTa Ti Tc\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Ta\n0.749999 0.749999 0.749999 Ti\n0.000000 0.000000 0.000000 Tc\n0.500000 0.500000 0.499999 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Ti",
"Tc"
],
"chemical_system": "Ta-Tc-Ti",
"density": 11.345651068439926,
"density_atomic": 0.06433400616438043,
"volume": 62.17551553962865,
"volume_molar": 9.360742660130278,
"formula_full": "Ta1 Ti1 Tc2",
"formula_reduced": "TaTiTc2",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.225507633333333,
"spacegroup": 225
},
{
"id": "jvasp-105259",
"created_at": "2022-09-04T14:36:57.174379Z",
"updated_at": "2022-09-04T14:36:57.174391Z",
"structure_string": "Ta2 Ti1 W1\n1.0\n3.979634 -0.000000 2.297643\n1.326545 3.752035 2.297643\n-0.000000 -0.000000 4.595285\nTa Ti W\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ta\n0.749999 0.749999 0.750001 Ta\n0.499999 0.499999 0.500001 Ti\n0.000000 0.000000 0.000000 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Ti",
"W"
],
"chemical_system": "Ta-Ti-W",
"density": 14.365559456161744,
"density_atomic": 0.05829583485834976,
"volume": 68.61553676552377,
"volume_molar": 10.330310518123481,
"formula_full": "Ta2 Ti1 W1",
"formula_reduced": "Ta2TiW",
"formula_anonymous": "ABC2",
"energy_above_hull": 6.300859183333333,
"spacegroup": 225
},
{
"id": "jvasp-50593",
"created_at": "2022-09-04T14:36:16.298703Z",
"updated_at": "2022-09-04T14:36:16.298729Z",
"structure_string": "Ta4 Tl4 O12\n1.0\n-5.370457 5.370457 0.000000\n5.370457 0.000000 5.370457\n5.370457 5.370457 0.000000\nTa Tl O\n4 4 12\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.000000 Ta\n0.000000 0.500000 0.000000 Ta\n0.000000 0.000000 0.500000 Ta\n0.500000 0.000000 0.000000 Tl\n0.500000 0.000000 0.500000 Tl\n0.500000 0.500000 0.500000 Tl\n0.000000 0.500000 0.500000 Tl\n0.310422 0.250000 0.939579 O\n0.689579 0.750000 0.689579 O\n0.060422 0.750000 0.060422 O\n0.060422 0.120845 0.689579 O\n0.939579 0.879155 0.310422 O\n0.689579 0.379155 0.060422 O\n0.310422 0.250000 0.310422 O\n0.689579 0.750000 0.060422 O\n0.310422 0.620846 0.939579 O\n0.939579 0.250000 0.310422 O\n0.939579 0.250000 0.939579 O\n0.060422 0.750000 0.689579 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ta",
"Tl",
"O"
],
"chemical_system": "O-Ta-Tl",
"density": 9.291022197802402,
"density_atomic": 0.06456040841124873,
"volume": 309.78738350910567,
"volume_molar": 9.327916145819687,
"formula_full": "Ta4 Tl4 O12",
"formula_reduced": "TaTlO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.34291646,
"spacegroup": 227
},
{
"id": "jvasp-41734",
"created_at": "2022-09-04T14:37:39.830289Z",
"updated_at": "2022-09-04T14:37:39.830319Z",
"structure_string": "Ta1 Tl1 O3\n1.0\n4.072289 0.000000 0.000000\n0.000000 4.072289 0.000000\n0.000000 0.000000 4.072289\nTa Tl O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ta",
"Tl",
"O"
],
"chemical_system": "O-Ta-Tl",
"density": 10.654951061757053,
"density_atomic": 0.07403792365404198,
"volume": 67.53295815484465,
"volume_molar": 8.133859598953288,
"formula_full": "Ta1 Tl1 O3",
"formula_reduced": "TaTlO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.35748646,
"spacegroup": 221
},
{
"id": "jvasp-40825",
"created_at": "2022-09-04T14:37:38.987795Z",
"updated_at": "2022-09-04T14:37:38.987808Z",
"structure_string": "Ta1 Tl1 Pt1\n1.0\n3.867810 0.000000 2.233081\n1.289270 3.646606 2.233081\n0.000000 0.000000 4.466163\nTa Tl Pt\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500001 0.499999 Tl\n0.250000 0.250000 0.250000 Pt\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ta",
"Tl",
"Pt"
],
"chemical_system": "Pt-Ta-Tl",
"density": 15.300277806080814,
"density_atomic": 0.04762475025920122,
"volume": 62.992456310474665,
"volume_molar": 12.644981290660956,
"formula_full": "Ta1 Tl1 Pt1",
"formula_reduced": "TaTlPt",
"formula_anonymous": "ABC",
"energy_above_hull": 2.5640444,
"spacegroup": 216
}
]
}