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=structure_string&page=3814",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=structure_string&page=3812",
"results": [
{
"id": "jvasp-35084",
"created_at": "2022-09-04T14:37:29.815692Z",
"updated_at": "2022-09-04T14:37:29.815722Z",
"structure_string": "Ta2 N4\n1.0\n2.731994 -4.731952 -0.000000\n2.731994 4.731952 0.000000\n-0.000000 0.000000 2.802940\nTa N\n2 4\ndirect\n0.333332 0.666666 0.500000 Ta\n0.666666 0.333332 0.500000 Ta\n0.000000 0.000000 0.000000 N\n-0.000000 0.499999 0.000000 N\n0.499999 -0.000000 0.000000 N\n0.499999 0.499999 0.000000 N\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ta",
"N"
],
"chemical_system": "N-Ta",
"density": 9.575931797710107,
"density_atomic": 0.08279181082815745,
"volume": 72.47093571190985,
"volume_molar": 7.273836264433864,
"formula_full": "Ta2 N4",
"formula_reduced": "TaN2",
"formula_anonymous": "AB2",
"energy_above_hull": 5.009328566666666,
"spacegroup": 191
},
{
"id": "jvasp-41034",
"created_at": "2022-09-04T14:37:44.397301Z",
"updated_at": "2022-09-04T14:37:44.397321Z",
"structure_string": "Ta2 Nb1 Ir1\n1.0\n0.000000 3.237086 3.237086\n3.237086 -0.000000 3.237086\n3.237086 3.237086 -0.000000\nTa Nb Ir\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500002 0.500002 0.500002 Ta\n0.750001 0.750001 0.750001 Nb\n0.249999 0.249999 0.249999 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Nb",
"Ir"
],
"chemical_system": "Ir-Nb-Ta",
"density": 15.837021903351372,
"density_atomic": 0.058961331594699885,
"volume": 67.84107298485038,
"volume_molar": 10.21371227060506,
"formula_full": "Ta2 Nb1 Ir1",
"formula_reduced": "Ta2NbIr",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.778404725,
"spacegroup": 225
},
{
"id": "jvasp-41033",
"created_at": "2022-09-04T14:37:49.008730Z",
"updated_at": "2022-09-04T14:37:49.008759Z",
"structure_string": "Ta2 Nb1 Os1\n1.0\n-0.000000 3.236413 3.236413\n3.236413 -0.000000 3.236413\n3.236413 3.236413 0.000000\nTa Nb Os\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ta\n0.499998 0.499998 0.499998 Ta\n0.250000 0.250000 0.250000 Nb\n0.750000 0.750000 0.750000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Nb",
"Os"
],
"chemical_system": "Nb-Os-Ta",
"density": 15.798237762013374,
"density_atomic": 0.058998121610293705,
"volume": 67.79876868659662,
"volume_molar": 10.207343209634129,
"formula_full": "Ta2 Nb1 Os1",
"formula_reduced": "Ta2NbOs",
"formula_anonymous": "ABC2",
"energy_above_hull": 6.1323832,
"spacegroup": 225
},
{
"id": "jvasp-99840",
"created_at": "2022-09-04T14:38:39.540266Z",
"updated_at": "2022-09-04T14:38:39.540274Z",
"structure_string": "Ta2 Nb1 Re1\n1.0\n3.978550 -0.000000 2.297017\n1.326184 3.751013 2.297017\n-0.000000 0.000000 4.594034\nTa Nb Re\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ta\n0.750000 0.749999 0.750001 Ta\n0.500000 0.500000 0.500001 Nb\n0.000000 0.000000 0.000000 Re\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Nb",
"Re"
],
"chemical_system": "Nb-Re-Ta",
"density": 15.52550462033588,
"density_atomic": 0.05834348897178191,
"volume": 68.5594925928173,
"volume_molar": 10.32187287070308,
"formula_full": "Ta2 Nb1 Re1",
"formula_reduced": "Ta2NbRe",
"formula_anonymous": "ABC2",
"energy_above_hull": 6.39284145,
"spacegroup": 225
},
{
"id": "jvasp-41042",
"created_at": "2022-09-04T14:37:33.232788Z",
"updated_at": "2022-09-04T14:37:33.232813Z",
"structure_string": "Ta2 Nb1 Ru1\n1.0\n0.000000 3.228876 3.228876\n3.228876 0.000000 3.228876\n3.228876 3.228876 0.000000\nTa Nb Ru\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500002 0.500002 0.500002 Ta\n0.250000 0.250000 0.250000 Nb\n0.750001 0.750001 0.750001 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Nb",
"Ru"
],
"chemical_system": "Nb-Ru-Ta",
"density": 13.710077475970788,
"density_atomic": 0.05941223564061617,
"volume": 67.32619900378681,
"volume_molar": 10.136196180914398,
"formula_full": "Ta2 Nb1 Ru1",
"formula_reduced": "Ta2NbRu",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.782444575,
"spacegroup": 225
},
{
"id": "jvasp-93772",
"created_at": "2022-09-04T14:35:54.966409Z",
"updated_at": "2022-09-04T14:35:54.966425Z",
"structure_string": "Ta2 Ni2 B2\n1.0\n-0.000000 -0.000000 -3.063235\n-3.299276 0.000000 0.000000\n1.649638 6.655564 0.000000\nTa Ni B\n2 2 2\ndirect\n0.750001 0.099010 0.198021 Ta\n0.250000 0.900990 0.801979 Ta\n0.750001 0.295764 0.591528 Ni\n0.250000 0.704236 0.408472 Ni\n0.750001 0.465542 0.931084 B\n0.250000 0.534458 0.068916 B\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ta",
"Ni",
"B"
],
"chemical_system": "B-Ni-Ta",
"density": 12.365744116265363,
"density_atomic": 0.08920052757678205,
"volume": 67.26417615451118,
"volume_molar": 6.751238948465031,
"formula_full": "Ta2 Ni2 B2",
"formula_reduced": "TaNiB",
"formula_anonymous": "ABC",
"energy_above_hull": 3.420821394444444,
"spacegroup": 63
},
{
"id": "jvasp-62948",
"created_at": "2022-09-04T14:36:11.019987Z",
"updated_at": "2022-09-04T14:36:11.020008Z",
"structure_string": "Ta2 Ni2 B2\n1.0\n1.649775 -6.655540 -0.000000\n1.649775 6.655540 0.000000\n0.000000 0.000000 3.063407\nTa Ni B\n2 2 2\ndirect\n0.900973 0.099030 0.250000 Ta\n0.099030 0.900973 0.750001 Ta\n0.704243 0.295760 0.250000 Ni\n0.295760 0.704243 0.750001 Ni\n0.534457 0.465546 0.250000 B\n0.465546 0.534457 0.750001 B\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ta",
"Ni",
"B"
],
"chemical_system": "B-Ni-Ta",
"density": 12.364067592363806,
"density_atomic": 0.08918843394011063,
"volume": 67.27329693925286,
"volume_molar": 6.7521543926242975,
"formula_full": "Ta2 Ni2 B2",
"formula_reduced": "TaNiB",
"formula_anonymous": "ABC",
"energy_above_hull": 3.420711394444444,
"spacegroup": 63
},
{
"id": "jvasp-12180",
"created_at": "2022-09-04T14:38:32.399192Z",
"updated_at": "2022-09-04T14:38:32.399221Z",
"structure_string": "Ta2 Ni2 Te10\n1.0\n3.717606 0.000000 0.000000\n-1.858803 6.727965 0.000000\n0.000000 0.000000 15.283072\nTa Ni Te\n2 2 10\ndirect\n0.511206 0.022412 0.250000 Ta\n0.488796 0.977587 0.750000 Ta\n0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.394817 0.789631 0.574343 Te\n0.100705 0.201410 0.645110 Te\n0.605185 0.210368 0.425657 Te\n0.605185 0.210368 0.074343 Te\n0.394817 0.789631 0.925657 Te\n0.170722 0.341441 0.250000 Te\n0.899296 0.798589 0.145110 Te\n0.829280 0.658558 0.750000 Te\n0.100705 0.201410 0.854890 Te\n0.899296 0.798589 0.354890 Te\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ta",
"Ni",
"Te"
],
"chemical_system": "Ni-Ta-Te",
"density": 7.6249744407654845,
"density_atomic": 0.03662438094604253,
"volume": 382.2590208589663,
"volume_molar": 16.44298307423194,
"formula_full": "Ta2 Ni2 Te10",
"formula_reduced": "TaNiTe5",
"formula_anonymous": "ABC5",
"energy_above_hull": 1.9691357761904755,
"spacegroup": 63
},
{
"id": "jvasp-19881",
"created_at": "2022-09-04T14:36:46.298960Z",
"updated_at": "2022-09-04T14:36:46.298986Z",
"structure_string": "Ta2 Ni6\n1.0\n4.256454 0.000000 0.000000\n0.000000 4.547709 0.000000\n0.000000 0.000000 5.112008\nTa Ni\n2 6\ndirect\n0.500000 0.348296 0.000000 Ta\n0.000000 0.651704 0.500000 Ta\n0.000000 0.679092 0.000000 Ni\n0.500000 0.320908 0.500000 Ni\n0.500000 0.840506 0.249900 Ni\n0.000000 0.159494 0.250100 Ni\n0.500000 0.840506 0.750101 Ni\n0.000000 0.159494 0.749900 Ni\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ta",
"Ni"
],
"chemical_system": "Ni-Ta",
"density": 11.982552246817663,
"density_atomic": 0.08084587220067106,
"volume": 98.95372246269855,
"volume_molar": 7.448915567454307,
"formula_full": "Ta2 Ni6",
"formula_reduced": "TaNi3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.3589741,
"spacegroup": 59
},
{
"id": "jvasp-118325",
"created_at": "2022-09-04T14:38:32.763046Z",
"updated_at": "2022-09-04T14:38:32.763072Z",
"structure_string": "Ta2 O2 F2\n1.0\n2.824540 0.000000 0.000000\n0.000000 4.118198 0.000000\n0.000000 0.000000 6.093790\nTa O F\n2 2 2\ndirect\n0.500000 0.500001 0.631939 Ta\n0.000000 0.000000 0.368061 Ta\n0.000000 0.500001 0.348236 O\n0.500000 0.000000 0.651763 O\n0.000000 0.500001 0.889307 F\n0.500000 0.000000 0.110692 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ta",
"O",
"F"
],
"chemical_system": "F-O-Ta",
"density": 10.117685681960591,
"density_atomic": 0.0846464626572254,
"volume": 70.8830565583929,
"volume_molar": 7.1144624015613855,
"formula_full": "Ta2 O2 F2",
"formula_reduced": "TaOF",
"formula_anonymous": "ABC",
"energy_above_hull": 1.8186309941666663,
"spacegroup": 59
},
{
"id": "jvasp-13767",
"created_at": "2022-09-04T14:36:01.562394Z",
"updated_at": "2022-09-04T14:36:01.562413Z",
"structure_string": "Ta2 O4\n1.0\n4.982613 -0.000000 0.000000\n-0.000000 4.982613 0.000000\n0.000000 0.000000 2.894916\nTa O\n2 4\ndirect\n0.500000 0.500000 0.500001 Ta\n0.000000 0.000000 0.000000 Ta\n0.713181 0.713181 0.000000 O\n0.213182 0.786818 0.500001 O\n0.286818 0.286818 0.000000 O\n0.786818 0.213182 0.500001 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ta",
"O"
],
"chemical_system": "O-Ta",
"density": 9.840103953125602,
"density_atomic": 0.0834835618745969,
"volume": 71.87043611067739,
"volume_molar": 7.213564712351436,
"formula_full": "Ta2 O4",
"formula_reduced": "TaO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.4798787333333334,
"spacegroup": 136
},
{
"id": "jvasp-17915",
"created_at": "2022-09-04T14:38:15.081017Z",
"updated_at": "2022-09-04T14:38:15.081047Z",
"structure_string": "Ta2 O4\n1.0\n4.982613 -0.000000 0.000000\n-0.000000 4.982613 0.000000\n0.000000 0.000000 2.894916\nTa O\n2 4\ndirect\n0.500000 0.500000 0.500001 Ta\n0.000000 0.000000 0.000000 Ta\n0.713181 0.713181 0.000000 O\n0.213182 0.786818 0.500001 O\n0.286818 0.286818 0.000000 O\n0.786818 0.213182 0.500001 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ta",
"O"
],
"chemical_system": "O-Ta",
"density": 9.840103953125602,
"density_atomic": 0.0834835618745969,
"volume": 71.87043611067739,
"volume_molar": 7.213564712351436,
"formula_full": "Ta2 O4",
"formula_reduced": "TaO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.4798787333333334,
"spacegroup": 136
}
]
}