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=3797",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=structure_string&page=3795",
"results": [
{
"id": "jvasp-106727",
"created_at": "2022-09-04T14:36:46.591122Z",
"updated_at": "2022-09-04T14:36:46.591137Z",
"structure_string": "Ta1 Nb1 Mo1\n1.0\n6.930454 -0.010974 1.938416\n6.416892 2.614349 0.922920\n0.001435 -0.007335 2.861336\nTa Nb Mo\n1 1 1\ndirect\n0.662153 0.662156 0.337847 Ta\n0.337326 0.337326 0.662675 Nb\n0.000522 0.000519 0.999481 Mo\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ta",
"Nb",
"Mo"
],
"chemical_system": "Mo-Nb-Ta",
"density": 11.810312139561857,
"density_atomic": 0.05769967506950242,
"volume": 51.99336038524196,
"volume_molar": 10.437044494177828,
"formula_full": "Ta1 Nb1 Mo1",
"formula_reduced": "TaNbMo",
"formula_anonymous": "ABC",
"energy_above_hull": 5.359244833333333,
"spacegroup": 42
},
{
"id": "jvasp-110993",
"created_at": "2022-09-04T14:38:39.280129Z",
"updated_at": "2022-09-04T14:38:39.280154Z",
"structure_string": "Ta1 Nb1 N2\n1.0\n3.014634 0.004803 4.536106\n1.373417 2.683610 4.536106\n0.007839 0.004803 5.446487\nTa Nb N\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.499999 0.500002 Nb\n0.254387 0.254386 0.254388 N\n0.745614 0.745612 0.745616 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Nb",
"N"
],
"chemical_system": "N-Nb-Ta",
"density": 11.419412182780896,
"density_atomic": 0.09112510771764104,
"volume": 43.895695710937794,
"volume_molar": 6.608651458234892,
"formula_full": "Ta1 Nb1 N2",
"formula_reduced": "TaNbN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.363258774999999,
"spacegroup": 166
},
{
"id": "jvasp-38991",
"created_at": "2022-09-04T14:37:54.137000Z",
"updated_at": "2022-09-04T14:37:54.137026Z",
"structure_string": "Ta1 Nb1 Tc2\n1.0\n0.000000 3.189619 3.189619\n3.189619 -0.000000 3.189619\n3.189619 3.189619 0.000000\nTa Nb Tc\n1 1 2\ndirect\n0.750001 0.750001 0.750001 Ta\n0.250000 0.250000 0.250000 Nb\n0.000000 0.000000 0.000000 Tc\n0.500000 0.500000 0.500000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Nb",
"Tc"
],
"chemical_system": "Nb-Ta-Tc",
"density": 12.021698769976327,
"density_atomic": 0.061633036756661465,
"volume": 64.90025821367092,
"volume_molar": 9.770962258076812,
"formula_full": "Ta1 Nb1 Tc2",
"formula_reduced": "TaNbTc2",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.6720579,
"spacegroup": 225
},
{
"id": "jvasp-102674",
"created_at": "2022-09-04T14:36:55.843135Z",
"updated_at": "2022-09-04T14:36:55.843159Z",
"structure_string": "Ta1 Nb1 V1\n1.0\n6.746133 -0.004071 1.915498\n6.222578 2.608551 0.926636\n-0.001083 0.005405 2.842134\nTa Nb V\n1 1 1\ndirect\n0.325428 0.325425 0.674573 Ta\n0.007866 0.007862 0.992134 Nb\n0.666709 0.666708 0.333292 V\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ta",
"Nb",
"V"
],
"chemical_system": "Nb-Ta-V",
"density": 10.760277119347313,
"density_atomic": 0.05985290890346933,
"volume": 50.12287714935284,
"volume_molar": 10.061567382986345,
"formula_full": "Ta1 Nb1 V1",
"formula_reduced": "TaNbV",
"formula_anonymous": "ABC",
"energy_above_hull": 4.915780933333332,
"spacegroup": 42
},
{
"id": "jvasp-112630",
"created_at": "2022-09-04T14:38:42.308513Z",
"updated_at": "2022-09-04T14:38:42.308537Z",
"structure_string": "Ta1 Nb3 V4 O20\n1.0\n5.614566 -0.000000 0.000000\n0.000000 7.044665 0.012002\n-0.000000 0.005626 12.035649\nTa Nb V O\n1 3 4 20\ndirect\n0.500000 0.838600 0.558825 Ta\n0.500000 0.656871 0.059355 Nb\n-0.000000 0.154738 0.442751 Nb\n-0.000000 0.341915 0.940648 Nb\n0.500000 0.029141 0.844017 V\n0.500000 0.471638 0.346304 V\n-0.000000 0.970712 0.155154 V\n-0.000000 0.529328 0.654101 V\n0.249973 0.500018 0.999465 O\n0.251113 0.656576 0.621633 O\n0.750361 0.842648 0.124739 O\n0.749826 0.157861 0.874169 O\n0.250175 0.157861 0.874169 O\n0.250408 0.345283 0.378529 O\n0.749057 0.999449 0.500744 O\n0.749593 0.345283 0.378529 O\n0.750028 0.500018 0.999465 O\n0.500000 0.523639 0.204001 O\n-0.000000 0.477986 0.795458 O\n-0.000000 0.028243 0.296119 O\n0.748888 0.656576 0.621633 O\n0.500000 0.970209 0.703214 O\n-0.000000 0.319849 0.580738 O\n-0.000000 0.178083 0.077407 O\n0.500000 0.682419 0.421040 O\n0.500000 0.822975 0.922314 O\n0.250944 0.999449 0.500744 O\n0.249640 0.842648 0.124739 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Ta",
"Nb",
"V",
"O"
],
"chemical_system": "Nb-O-Ta-V",
"density": 3.430385116343126,
"density_atomic": 0.05881828080972455,
"volume": 476.0424754776359,
"volume_molar": 10.23855283951847,
"formula_full": "Ta1 Nb3 V4 O20",
"formula_reduced": "TaNb3V4O20",
"formula_anonymous": "AB3C4D20",
"energy_above_hull": 3.978253007142857,
"spacegroup": 6
},
{
"id": "jvasp-20100",
"created_at": "2022-09-04T14:36:32.714362Z",
"updated_at": "2022-09-04T14:36:32.714391Z",
"structure_string": "Ta1 Ni2\n1.0\n2.977752 -0.000000 -1.103496\n-0.408934 2.949539 -1.103496\n-0.015527 -0.017828 4.527538\nTa Ni\n1 2\ndirect\n0.000000 0.000000 0.000000 Ta\n0.333928 0.333928 0.667856 Ni\n0.666072 0.666072 0.332142 Ni\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ta",
"Ni"
],
"chemical_system": "Ni-Ta",
"density": 12.49480705991526,
"density_atomic": 0.07566551120693177,
"volume": 39.64818253583897,
"volume_molar": 7.958897870299868,
"formula_full": "Ta1 Ni2",
"formula_reduced": "TaNi2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.480961333333333,
"spacegroup": 139
},
{
"id": "jvasp-56526",
"created_at": "2022-09-04T14:37:34.212324Z",
"updated_at": "2022-09-04T14:37:34.212344Z",
"structure_string": "Ta1 Ni3\n1.0\n3.328690 0.000290 -1.456472\n-0.636817 3.267207 -1.456472\n0.004251 0.005161 4.542800\nTa Ni\n1 3\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.000001 Ni\n0.749993 0.250007 0.500000 Ni\n0.250006 0.749994 0.500000 Ni\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ta",
"Ni"
],
"chemical_system": "Ni-Ta",
"density": 11.987562295645517,
"density_atomic": 0.08087967482960291,
"volume": 49.45618300799539,
"volume_molar": 7.44580238816171,
"formula_full": "Ta1 Ni3",
"formula_reduced": "TaNi3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.3581516,
"spacegroup": 139
},
{
"id": "jvasp-20493",
"created_at": "2022-09-04T14:37:57.340429Z",
"updated_at": "2022-09-04T14:37:57.340454Z",
"structure_string": "Ta1 O1\n1.0\n2.755120 0.000000 1.590670\n0.918373 2.597553 1.590670\n-0.000000 -0.000000 3.181339\nTa O\n1 1\ndirect\n0.500000 0.499999 0.500001 Ta\n0.000000 0.000000 0.000000 O\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ta",
"O"
],
"chemical_system": "O-Ta",
"density": 14.364291114130436,
"density_atomic": 0.08784460799540321,
"volume": 22.767475951451196,
"volume_molar": 6.855447246477702,
"formula_full": "Ta1 O1",
"formula_reduced": "TaO",
"formula_anonymous": "AB",
"energy_above_hull": 2.4958613499999998,
"spacegroup": 225
},
{
"id": "jvasp-118319",
"created_at": "2022-09-04T14:38:32.645463Z",
"updated_at": "2022-09-04T14:38:32.645487Z",
"structure_string": "Ta1 O1 F1\n1.0\n3.025185 0.000000 -0.000000\n-0.000000 3.025185 -0.000000\n0.000000 -0.000000 6.453487\nTa O F\n1 1 1\ndirect\n0.000000 0.000000 -0.003513 Ta\n0.000000 0.000000 0.724348 O\n0.000000 0.000000 0.298038 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ta",
"O",
"F"
],
"chemical_system": "F-O-Ta",
"density": 6.0714903359714185,
"density_atomic": 0.05079523086132488,
"volume": 59.06066276557034,
"volume_molar": 11.855720818438515,
"formula_full": "Ta1 O1 F1",
"formula_reduced": "TaOF",
"formula_anonymous": "ABC",
"energy_above_hull": 2.233767660833333,
"spacegroup": 99
},
{
"id": "jvasp-118318",
"created_at": "2022-09-04T14:38:51.193804Z",
"updated_at": "2022-09-04T14:38:51.193829Z",
"structure_string": "Ta1 O1 F1\n1.0\n3.723539 -0.000000 -0.000000\n-1.861770 3.224679 0.000000\n0.000000 -0.000000 2.932872\nTa O F\n1 1 1\ndirect\n0.666666 0.333334 0.000000 Ta\n0.333333 0.666668 0.000000 O\n0.000000 0.000000 0.000000 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ta",
"O",
"F"
],
"chemical_system": "F-O-Ta",
"density": 10.182586746732087,
"density_atomic": 0.08518943718008387,
"volume": 35.21563352576485,
"volume_molar": 7.069116734824367,
"formula_full": "Ta1 O1 F1",
"formula_reduced": "TaOF",
"formula_anonymous": "ABC",
"energy_above_hull": 1.9403543275,
"spacegroup": 187
},
{
"id": "jvasp-118321",
"created_at": "2022-09-04T14:38:32.659275Z",
"updated_at": "2022-09-04T14:38:32.659295Z",
"structure_string": "Ta1 O1 F1\n1.0\n6.350127 0.000000 0.000000\n0.000000 6.350127 0.000000\n0.000000 0.000000 4.762595\nTa O F\n1 1 1\ndirect\n0.042767 0.413150 0.000000 Ta\n0.260829 -0.035076 0.000000 O\n-0.093784 -0.152546 0.000000 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ta",
"O",
"F"
],
"chemical_system": "F-O-Ta",
"density": 1.8671755440273694,
"density_atomic": 0.015621142021024966,
"volume": 192.04741855379137,
"volume_molar": 38.55121957085225,
"formula_full": "Ta1 O1 F1",
"formula_reduced": "TaOF",
"formula_anonymous": "ABC",
"energy_above_hull": 3.4936143275,
"spacegroup": 6
},
{
"id": "jvasp-118322",
"created_at": "2022-09-04T14:38:50.920376Z",
"updated_at": "2022-09-04T14:38:50.920406Z",
"structure_string": "Ta1 O1 F2\n1.0\n4.624177 -1.718176 -0.006912\n4.624177 1.718176 -0.006912\n-1.588874 0.000000 3.517737\nTa O F\n1 1 2\ndirect\n0.500001 0.500001 0.500001 Ta\n0.500000 0.500000 0.000000 O\n0.143758 0.143758 0.642343 F\n0.856243 0.856243 0.357658 F\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"O",
"F"
],
"chemical_system": "F-O-Ta",
"density": 6.984116341474854,
"density_atomic": 0.07160738940329013,
"volume": 55.860156798513486,
"volume_molar": 8.40994317790798,
"formula_full": "Ta1 O1 F2",
"formula_reduced": "TaOF2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.49565331625,
"spacegroup": 71
}
]
}