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_reduced&page=4052",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=4050",
"results": [
{
"id": "jvasp-37031",
"created_at": "2022-09-04T14:35:46.912995Z",
"updated_at": "2022-09-04T14:35:46.913023Z",
"structure_string": "Ti1 Fe2 Sb1\n1.0\n3.021060 3.021060 -0.000000\n3.021060 0.000000 -3.021060\n0.000000 3.021060 -3.021060\nTi Fe Sb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.250000 Fe\n0.750000 0.750000 0.750000 Fe\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Fe",
"Sb"
],
"chemical_system": "Fe-Sb-Ti",
"density": 8.471045746805546,
"density_atomic": 0.07253572288811783,
"volume": 55.145242106014024,
"volume_molar": 8.302310255167383,
"formula_full": "Ti1 Fe2 Sb1",
"formula_reduced": "TiFe2Sb",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.0127813583333327,
"spacegroup": 225
},
{
"id": "jvasp-22727",
"created_at": "2022-09-04T14:36:06.024739Z",
"updated_at": "2022-09-04T14:36:06.024764Z",
"structure_string": "Ti1 Fe2 Si1\n1.0\n0.000022 2.847127 2.847127\n2.847127 0.000022 2.847127\n2.847127 2.847127 0.000022\nTi Fe Si\n1 2 1\ndirect\n0.749999 0.749999 0.749999 Ti\n-0.000004 -0.000004 -0.000004 Fe\n0.500002 0.500002 0.500002 Fe\n0.250001 0.250001 0.250001 Si\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Fe",
"Si"
],
"chemical_system": "Fe-Si-Ti",
"density": 6.750482666535179,
"density_atomic": 0.08665916693683696,
"volume": 46.15784043845551,
"volume_molar": 6.9492253074499795,
"formula_full": "Ti1 Fe2 Si1",
"formula_reduced": "TiFe2Si",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.2817544833333328,
"spacegroup": 225
},
{
"id": "jvasp-7934",
"created_at": "2022-09-04T14:36:52.209898Z",
"updated_at": "2022-09-04T14:36:52.209927Z",
"structure_string": "Ti1 Fe2 Sn1\n1.0\n3.692693 0.000000 2.131977\n1.230897 3.481504 2.131977\n0.000000 0.000000 4.263955\nTi Fe Sn\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.750000 0.749999 0.750000 Fe\n0.250000 0.250000 0.250000 Fe\n0.500000 0.499999 0.500000 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Fe",
"Sn"
],
"chemical_system": "Fe-Sn-Ti",
"density": 8.429233588891023,
"density_atomic": 0.07296881223970357,
"volume": 54.81794039431455,
"volume_molar": 8.253033830696303,
"formula_full": "Ti1 Fe2 Sn1",
"formula_reduced": "TiFe2Sn",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.701912758333333,
"spacegroup": 225
},
{
"id": "jvasp-90136",
"created_at": "2022-09-04T14:35:46.466986Z",
"updated_at": "2022-09-04T14:35:46.467002Z",
"structure_string": "Ti3 Fe3 As3\n1.0\n0.000000 0.000000 -3.707128\n-3.090334 -5.352615 0.000000\n-3.090241 5.352561 0.000000\nTi Fe As\n3 3 3\ndirect\n0.500000 0.578995 -0.000001 Ti\n0.500000 0.420957 0.420961 Ti\n0.500000 -0.000005 0.579038 Ti\n0.000000 0.242456 -0.000000 Fe\n0.000000 0.757531 0.757532 Fe\n0.000000 -0.000002 0.242467 Fe\n0.000000 0.333328 0.666664 As\n0.000000 0.666664 0.333335 As\n0.500000 -0.000027 0.000000 As\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ti",
"Fe",
"As"
],
"chemical_system": "As-Fe-Ti",
"density": 7.256099413905966,
"density_atomic": 0.07338583343927918,
"volume": 122.63947383587009,
"volume_molar": 8.206135268577189,
"formula_full": "Ti3 Fe3 As3",
"formula_reduced": "TiFeAs",
"formula_anonymous": "ABC",
"energy_above_hull": 2.6156585277777777,
"spacegroup": 189
},
{
"id": "jvasp-57577",
"created_at": "2022-09-04T14:36:34.902310Z",
"updated_at": "2022-09-04T14:36:34.902342Z",
"structure_string": "Ti1 Fe1 Bi2 O6\n1.0\n5.652234 -0.000286 -0.002948\n-2.825352 4.895353 0.002848\n-2.823612 -1.633334 4.610482\nTi Fe Bi O\n1 1 2 6\ndirect\n0.456877 0.728413 0.185293 Ti\n0.460337 0.230146 0.690449 Fe\n0.006757 0.503345 0.510107 Bi\n0.003740 0.001833 0.005623 Bi\n0.492434 0.932789 0.883917 O\n0.345728 0.457912 0.381298 O\n0.951112 0.559665 0.883989 O\n0.324238 0.391427 0.883926 O\n0.493383 0.035618 0.381214 O\n0.923392 0.887851 0.381181 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ti",
"Fe",
"Bi",
"O"
],
"chemical_system": "Bi-Fe-O-Ti",
"density": 8.041976168220991,
"density_atomic": 0.07840752378510792,
"volume": 127.53878093902154,
"volume_molar": 7.680564911735927,
"formula_full": "Ti1 Fe1 Bi2 O6",
"formula_reduced": "TiFe(BiO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.631657343333334,
"spacegroup": 146
},
{
"id": "jvasp-37035",
"created_at": "2022-09-04T14:35:46.096094Z",
"updated_at": "2022-09-04T14:35:46.096120Z",
"structure_string": "Ti1 Fe1 Co1 As1\n1.0\n2.920865 2.920865 -0.000000\n2.920865 0.000000 -2.920865\n-0.000000 2.920865 -2.920865\nTi Fe Co As\n1 1 1 1\ndirect\n0.500001 0.500001 0.500001 Ti\n0.750001 0.750001 0.750001 Fe\n0.250000 0.250000 0.250000 Co\n0.000000 0.000000 0.000000 As\n",
"nsites": 4,
"nelements": 4,
"elements": [
"Ti",
"Fe",
"Co",
"As"
],
"chemical_system": "As-Co-Fe-Ti",
"density": 7.915354796623031,
"density_atomic": 0.08025933214627556,
"volume": 49.838441126196436,
"volume_molar": 7.503352693023197,
"formula_full": "Ti1 Fe1 Co1 As1",
"formula_reduced": "TiFeCoAs",
"formula_anonymous": "ABCD",
"energy_above_hull": 3.124939120833333,
"spacegroup": 216
},
{
"id": "jvasp-35674",
"created_at": "2022-09-04T14:37:31.786123Z",
"updated_at": "2022-09-04T14:37:31.786148Z",
"structure_string": "Ti1 Fe1 Co1 Ge1\n1.0\n2.904948 2.904948 0.000000\n2.904948 0.000000 -2.904948\n-0.000000 2.904948 -2.904948\nTi Fe Co Ge\n1 1 1 1\ndirect\n0.500000 0.500000 0.500000 Ti\n0.750000 0.750000 0.750000 Fe\n0.250000 0.250000 0.250000 Co\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 4,
"nelements": 4,
"elements": [
"Ti",
"Fe",
"Co",
"Ge"
],
"chemical_system": "Co-Fe-Ge-Ti",
"density": 7.968904354679024,
"density_atomic": 0.08158586220172216,
"volume": 49.028102321330444,
"volume_molar": 7.3813533343683675,
"formula_full": "Ti1 Fe1 Co1 Ge1",
"formula_reduced": "TiFeCoGe",
"formula_anonymous": "ABCD",
"energy_above_hull": 2.7162976708333333,
"spacegroup": 216
},
{
"id": "jvasp-37034",
"created_at": "2022-09-04T14:35:53.656759Z",
"updated_at": "2022-09-04T14:35:53.656770Z",
"structure_string": "Ti1 Fe1 Co1 Sb1\n1.0\n3.037963 3.037963 0.000000\n3.037963 -0.000000 -3.037963\n0.000000 3.037963 -3.037963\nTi Fe Co Sb\n1 1 1 1\ndirect\n0.500000 0.500000 0.500000 Ti\n0.749999 0.749999 0.749999 Fe\n0.250000 0.250000 0.250000 Co\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 4,
"nelements": 4,
"elements": [
"Ti",
"Fe",
"Co",
"Sb"
],
"chemical_system": "Co-Fe-Sb-Ti",
"density": 8.421882660912601,
"density_atomic": 0.07133169682887969,
"volume": 56.076052832386026,
"volume_molar": 8.442447085545634,
"formula_full": "Ti1 Fe1 Co1 Sb1",
"formula_reduced": "TiFeCoSb",
"formula_anonymous": "ABCD",
"energy_above_hull": 2.967005208333333,
"spacegroup": 216
},
{
"id": "jvasp-37032",
"created_at": "2022-09-04T14:38:06.356478Z",
"updated_at": "2022-09-04T14:38:06.356503Z",
"structure_string": "Ti1 Fe1 Co1 Si1\n1.0\n2.862195 2.862195 0.000000\n2.862195 0.000000 -2.862195\n0.000000 2.862195 -2.862195\nTi Fe Co Si\n1 1 1 1\ndirect\n0.500001 0.500001 0.500001 Ti\n0.750001 0.750001 0.750001 Fe\n0.250000 0.250000 0.250000 Co\n0.000000 0.000000 0.000000 Si\n",
"nsites": 4,
"nelements": 4,
"elements": [
"Ti",
"Fe",
"Co",
"Si"
],
"chemical_system": "Co-Fe-Si-Ti",
"density": 6.753704224267911,
"density_atomic": 0.08529672165039458,
"volume": 46.89512003046012,
"volume_molar": 7.060225344513158,
"formula_full": "Ti1 Fe1 Co1 Si1",
"formula_reduced": "TiFeCoSi",
"formula_anonymous": "ABCD",
"energy_above_hull": 3.258398333333333,
"spacegroup": 216
},
{
"id": "jvasp-12407",
"created_at": "2022-09-04T14:36:51.587424Z",
"updated_at": "2022-09-04T14:36:51.587450Z",
"structure_string": "Ti1 Fe6 Ge6\n1.0\n2.507483 -4.343087 0.000000\n2.507483 4.343087 -0.000000\n-0.000000 0.000000 7.964303\nTi Fe Ge\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Ti\n-0.000000 0.500000 0.248900 Fe\n0.500000 -0.000000 0.248900 Fe\n0.499999 0.499999 0.248900 Fe\n-0.000000 0.500000 0.751100 Fe\n0.500000 -0.000000 0.751100 Fe\n0.499999 0.499999 0.751100 Fe\n0.333332 0.666667 0.500000 Ge\n0.666667 0.333332 0.500000 Ge\n0.333332 0.666667 0.000000 Ge\n0.666667 0.333332 0.000000 Ge\n0.000000 0.000000 0.665376 Ge\n0.000000 0.000000 0.334624 Ge\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ti",
"Fe",
"Ge"
],
"chemical_system": "Fe-Ge-Ti",
"density": 7.8379129461022226,
"density_atomic": 0.0749426517294394,
"volume": 173.4659729806874,
"volume_molar": 8.035665433538895,
"formula_full": "Ti1 Fe6 Ge6",
"formula_reduced": "Ti(FeGe)6",
"formula_anonymous": "AB6C6",
"energy_above_hull": 2.750119002564102,
"spacegroup": 191
},
{
"id": "jvasp-95058",
"created_at": "2022-09-04T14:35:41.345438Z",
"updated_at": "2022-09-04T14:35:41.345455Z",
"structure_string": "Ti2 Fe2 H2\n1.0\n-2.899664 0.000000 0.000000\n0.000000 -0.000000 -4.265001\n0.000000 -4.552356 -0.000000\nTi Fe H\n2 2 2\ndirect\n0.499999 0.750000 0.253422 Ti\n0.499999 0.250000 0.746579 Ti\n0.000000 0.750000 0.696501 Fe\n0.000000 0.250000 0.303500 Fe\n0.000000 0.500000 0.000000 H\n0.000000 0.000000 0.000000 H\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ti",
"Fe",
"H"
],
"chemical_system": "Fe-H-Ti",
"density": 6.177396059023524,
"density_atomic": 0.10657325226856945,
"volume": 56.29930467806056,
"volume_molar": 5.650705624356786,
"formula_full": "Ti2 Fe2 H2",
"formula_reduced": "TiFeH",
"formula_anonymous": "ABC",
"energy_above_hull": 2.7949779444444447,
"spacegroup": 51
},
{
"id": "jvasp-91811",
"created_at": "2022-09-04T14:35:43.810989Z",
"updated_at": "2022-09-04T14:35:43.811015Z",
"structure_string": "Ti2 Fe2 H4\n1.0\n0.000000 2.632958 0.000000\n0.656415 0.000000 5.171912\n5.213145 0.000000 -0.042895\nTi Fe H\n2 2 4\ndirect\n0.000000 0.722549 0.777471 Ti\n0.000000 0.277451 0.222529 Ti\n0.000000 0.232508 0.732491 Fe\n0.000000 0.767493 0.267509 Fe\n0.000000 0.000000 0.000000 H\n0.000000 0.000000 0.500000 H\n0.000000 0.500000 0.500000 H\n0.500000 0.500000 -0.000000 H\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ti",
"Fe",
"H"
],
"chemical_system": "Fe-H-Ti",
"density": 4.941063643289571,
"density_atomic": 0.1125749642357009,
"volume": 71.06375786405056,
"volume_molar": 5.349449409898368,
"formula_full": "Ti2 Fe2 H4",
"formula_reduced": "TiFeH2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.129623458333333,
"spacegroup": 65
}
]
}