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=3399",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=3397",
"results": [
{
"id": "jvasp-91702",
"created_at": "2022-09-04T14:38:16.169064Z",
"updated_at": "2022-09-04T14:38:16.169095Z",
"structure_string": "Ta1 N1 F6\n1.0\n4.753157 0.041840 -0.481635\n-0.537073 4.722901 -0.481635\n0.037022 0.041840 4.777352\nTa N F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.500001 N\n0.094173 0.779323 0.669520 F\n0.669520 0.094172 0.779324 F\n0.779324 0.669519 0.094174 F\n0.905828 0.220677 0.330481 F\n0.330481 0.905827 0.220678 F\n0.220677 0.330480 0.905828 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ta",
"N",
"F"
],
"chemical_system": "F-N-Ta",
"density": 4.770339023237363,
"density_atomic": 0.07438904181695256,
"volume": 107.54272140895992,
"volume_molar": 8.095467575477777,
"formula_full": "Ta1 N1 F6",
"formula_reduced": "TaNF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 1.371343018125,
"spacegroup": 148
},
{
"id": "jvasp-9740",
"created_at": "2022-09-04T14:37:12.853126Z",
"updated_at": "2022-09-04T14:37:12.853156Z",
"structure_string": "Ta4 N4 O4\n1.0\n3.720311 -0.000000 -1.114672\n-0.587966 6.457333 -1.962383\n0.028124 -0.009453 6.859622\nTa N O\n4 4 4\ndirect\n0.602417 0.208052 0.204835 Ta\n0.397581 0.791948 0.795165 Ta\n0.311571 0.194557 0.623143 Ta\n0.688426 0.805443 0.376857 Ta\n0.758666 0.147313 0.517334 N\n0.241332 0.852687 0.482666 N\n0.445928 0.137153 0.891858 N\n0.554070 0.862847 0.108142 N\n0.640546 0.506675 0.281094 O\n0.359452 0.493325 0.718906 O\n0.865366 0.790341 0.730735 O\n0.134632 0.209659 0.269265 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ta",
"N",
"O"
],
"chemical_system": "N-O-Ta",
"density": 8.496284402277464,
"density_atomic": 0.07276348228915497,
"volume": 164.91789043730992,
"volume_molar": 8.276322917131154,
"formula_full": "Ta4 N4 O4",
"formula_reduced": "TaNO",
"formula_anonymous": "ABC",
"energy_above_hull": 3.534315316666666,
"spacegroup": 12
},
{
"id": "jvasp-9582",
"created_at": "2022-09-04T14:38:11.943675Z",
"updated_at": "2022-09-04T14:38:11.943695Z",
"structure_string": "Ta4 N4 O4\n1.0\n0.000000 5.001667 -0.007149\n5.067416 0.000000 0.000000\n0.000000 -0.872501 -5.151402\nTa N O\n4 4 4\ndirect\n0.706703 0.544908 0.283715 Ta\n0.293298 0.044908 0.216285 Ta\n0.293298 0.455093 0.716284 Ta\n0.706703 0.955093 0.783715 Ta\n0.557149 0.256093 0.020419 N\n0.442852 0.756094 0.479581 N\n0.442852 0.743908 0.979581 N\n0.557149 0.243907 0.520418 N\n0.937202 0.673574 0.653825 O\n0.062799 0.173573 0.846174 O\n0.062799 0.326427 0.346175 O\n0.937202 0.826427 0.153825 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ta",
"N",
"O"
],
"chemical_system": "N-O-Ta",
"density": 10.729140030630877,
"density_atomic": 0.09188600023645704,
"volume": 130.5966085053165,
"volume_molar": 6.553926326646911,
"formula_full": "Ta4 N4 O4",
"formula_reduced": "TaNO",
"formula_anonymous": "ABC",
"energy_above_hull": 3.514868649999999,
"spacegroup": 14
},
{
"id": "jvasp-35080",
"created_at": "2022-09-04T14:37:29.263169Z",
"updated_at": "2022-09-04T14:37:29.263191Z",
"structure_string": "Ta2 N3 O1\n1.0\n5.433967 -0.000360 0.000000\n-2.717297 4.705774 0.000000\n0.000000 0.000000 2.798512\nTa N O\n2 3 1\ndirect\n0.666681 0.333368 0.500000 Ta\n0.333368 0.666680 0.500000 Ta\n0.500013 0.500013 0.000000 N\n0.500019 0.000024 0.000000 N\n0.000023 0.500018 0.000000 N\n0.999994 0.999994 0.000000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ta",
"N",
"O"
],
"chemical_system": "N-O-Ta",
"density": 9.744333365745044,
"density_atomic": 0.08384798470219021,
"volume": 71.55807049281738,
"volume_molar": 7.182212883695813,
"formula_full": "Ta2 N3 O1",
"formula_reduced": "Ta2N3O",
"formula_anonymous": "AB2C3",
"energy_above_hull": 5.689686941666666,
"spacegroup": 191
},
{
"id": "jvasp-32399",
"created_at": "2022-09-04T14:37:00.772376Z",
"updated_at": "2022-09-04T14:37:00.772404Z",
"structure_string": "Ta3 N3 O3\n1.0\n6.680689 0.000000 0.000000\n-3.340344 5.785149 0.000000\n0.000000 0.000000 3.923592\nTa N O\n3 3 3\ndirect\n0.333330 0.666659 0.000000 Ta\n0.999998 0.999995 0.000000 Ta\n0.666671 0.333342 0.000000 Ta\n0.000000 0.500002 0.000000 N\n0.500002 0.500002 0.000000 N\n0.500000 -0.000000 0.000000 N\n0.666691 0.333381 0.500000 O\n0.333310 0.666620 0.500000 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ta",
"N",
"O"
],
"chemical_system": "N-O-Ta",
"density": 6.930082926069179,
"density_atomic": 0.05935029271362923,
"volume": 151.64204907001638,
"volume_molar": 10.146775162605174,
"formula_full": "Ta3 N3 O3",
"formula_reduced": "TaNO",
"formula_anonymous": "ABC",
"energy_above_hull": 3.9130453166666657,
"spacegroup": 191
},
{
"id": "jvasp-104923",
"created_at": "2022-09-04T14:36:54.906878Z",
"updated_at": "2022-09-04T14:36:54.906887Z",
"structure_string": "Ta1 Nb1 Al6\n1.0\n3.853200 -0.000000 0.000000\n0.000000 3.853200 0.000000\n0.000000 0.000000 8.613687\nTa Nb Al\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 -0.000000 Al\n0.000000 0.000000 0.500000 Al\n-0.000000 0.500000 0.250898 Al\n0.500000 0.000000 0.749103 Al\n0.500000 0.000000 0.250898 Al\n-0.000000 0.500000 0.749103 Al\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ta",
"Nb",
"Al"
],
"chemical_system": "Al-Nb-Ta",
"density": 5.657802937059015,
"density_atomic": 0.06255439054931443,
"volume": 127.8887050093349,
"volume_molar": 9.627047289754149,
"formula_full": "Ta1 Nb1 Al6",
"formula_reduced": "TaNbAl6",
"formula_anonymous": "ABC6",
"energy_above_hull": 3.205289425,
"spacegroup": 123
},
{
"id": "jvasp-75581",
"created_at": "2022-09-04T14:35:41.810162Z",
"updated_at": "2022-09-04T14:35:41.810191Z",
"structure_string": "Ta1 Nb1 As1\n1.0\n-0.000000 3.149377 3.149377\n3.149377 -0.000000 3.149377\n3.149377 3.149377 0.000000\nTa Nb As\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ta\n0.750001 0.750001 0.750001 Nb\n0.500001 0.500001 0.500001 As\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ta",
"Nb",
"As"
],
"chemical_system": "As-Nb-Ta",
"density": 9.270252544723009,
"density_atomic": 0.048019463609978066,
"volume": 62.474667030154485,
"volume_molar": 12.541041292990718,
"formula_full": "Ta1 Nb1 As1",
"formula_reduced": "TaNbAs",
"formula_anonymous": "ABC",
"energy_above_hull": 4.49556345,
"spacegroup": 216
},
{
"id": "jvasp-109688",
"created_at": "2022-09-04T14:38:18.091178Z",
"updated_at": "2022-09-04T14:38:18.091190Z",
"structure_string": "Ta1 Nb1 C2\n1.0\n3.044753 -0.000364 4.597193\n1.384062 2.711991 4.597193\n-0.000595 -0.000364 5.514046\nTa Nb C\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ta\n0.499998 0.500002 0.500000 Nb\n0.252035 0.252036 0.252036 C\n0.747961 0.747967 0.747965 C\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Nb",
"C"
],
"chemical_system": "C-Nb-Ta",
"density": 10.860496151456637,
"density_atomic": 0.08782649320204565,
"volume": 45.54434378699333,
"volume_molar": 6.856861227677633,
"formula_full": "Ta1 Nb1 C2",
"formula_reduced": "TaNbC2",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.909192150000001,
"spacegroup": 166
},
{
"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-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-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
}
]
}