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=4028",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=4026",
"results": [
{
"id": "jvasp-111769",
"created_at": "2022-09-04T14:38:52.874235Z",
"updated_at": "2022-09-04T14:38:52.874254Z",
"structure_string": "Ti2 Al2 Fe2 O10\n1.0\n5.078919 0.030070 0.000000\n-3.757430 3.417316 -0.000000\n0.000000 0.000000 9.598059\nTi Al Fe O\n2 2 2 10\ndirect\n0.125774 0.874228 0.059995 Ti\n0.874227 0.125774 0.559995 Ti\n0.803133 0.196868 0.253027 Al\n0.196868 0.803133 0.753027 Al\n0.856837 0.143163 0.937538 Fe\n0.143164 0.856838 0.437538 Fe\n0.687546 0.312455 0.422918 O\n0.316838 0.683164 0.577907 O\n0.683163 0.316838 0.077907 O\n0.312455 0.687546 0.922918 O\n0.952162 0.047838 0.379618 O\n0.058229 0.941773 0.617136 O\n0.941772 0.058229 0.117136 O\n0.047839 0.952163 0.879618 O\n0.247948 0.752053 0.251860 O\n0.752053 0.247948 0.751860 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Ti",
"Al",
"Fe",
"O"
],
"chemical_system": "Al-Fe-O-Ti",
"density": 4.173171907479223,
"density_atomic": 0.095424991812907,
"volume": 167.6709601544432,
"volume_molar": 6.310863271340052,
"formula_full": "Ti2 Al2 Fe2 O10",
"formula_reduced": "TiAlFeO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.7348805166666668,
"spacegroup": 36
},
{
"id": "jvasp-103320",
"created_at": "2022-09-04T14:36:38.322410Z",
"updated_at": "2022-09-04T14:36:38.322431Z",
"structure_string": "Ti1 Al1 Ir2\n1.0\n3.770483 -0.000000 2.176889\n1.256827 3.554846 2.176889\n-0.000000 -0.000000 4.353779\nTi Al Ir\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500001 0.500000 Al\n0.750000 0.750001 0.750000 Ir\n0.250000 0.250000 0.250000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Al",
"Ir"
],
"chemical_system": "Al-Ir-Ti",
"density": 13.069075689737975,
"density_atomic": 0.06854500819804912,
"volume": 58.35581766133402,
"volume_molar": 8.785673703036187,
"formula_full": "Ti1 Al1 Ir2",
"formula_reduced": "TiAlIr2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.454133333333334,
"spacegroup": 225
},
{
"id": "jvasp-120301",
"created_at": "2022-09-04T14:38:52.952902Z",
"updated_at": "2022-09-04T14:38:52.952927Z",
"structure_string": "Ti1 Al1 N1\n1.0\n6.604132 0.000000 0.000000\n0.000000 6.604132 0.000000\n0.000000 0.000000 4.762595\nTi Al N\n1 1 1\ndirect\n-0.004306 -0.073497 0.000000 Ti\n0.329810 0.000650 0.000000 Al\n0.001618 0.272135 0.000000 N\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ti",
"Al",
"N"
],
"chemical_system": "Al-N-Ti",
"density": 0.7103248248540269,
"density_atomic": 0.01444262425987646,
"volume": 207.7184828753318,
"volume_molar": 41.696998077629914,
"formula_full": "Ti1 Al1 N1",
"formula_reduced": "TiAlN",
"formula_anonymous": "ABC",
"energy_above_hull": 4.116551461111111,
"spacegroup": 6
},
{
"id": "jvasp-120303",
"created_at": "2022-09-04T14:38:47.342275Z",
"updated_at": "2022-09-04T14:38:47.342303Z",
"structure_string": "Ti1 Al1 N2\n1.0\n3.189419 0.000000 0.000000\n0.000000 3.189419 0.000000\n0.000000 0.000000 4.518883\nTi Al N\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.499999 Al\n0.500000 0.000000 0.261874 N\n0.000000 0.500000 0.738124 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Al",
"N"
],
"chemical_system": "Al-N-Ti",
"density": 3.715776222741389,
"density_atomic": 0.08701732733527441,
"volume": 45.96785631657192,
"volume_molar": 6.92062252934628,
"formula_full": "Ti1 Al1 N2",
"formula_reduced": "TiAlN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.602376908333333,
"spacegroup": 115
},
{
"id": "jvasp-15771",
"created_at": "2022-09-04T14:36:56.089891Z",
"updated_at": "2022-09-04T14:36:56.089916Z",
"structure_string": "Ti1 Al1 Ni2\n1.0\n3.607787 0.000000 2.082956\n1.202596 3.401454 2.082956\n0.000000 -0.000000 4.165913\nTi Al Ni\n1 1 2\ndirect\n0.500001 0.499999 0.500000 Ti\n0.000000 0.000000 0.000000 Al\n0.250001 0.250000 0.250000 Ni\n0.750002 0.749999 0.750000 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Al",
"Ni"
],
"chemical_system": "Al-Ni-Ti",
"density": 6.24405380919611,
"density_atomic": 0.07824278561650018,
"volume": 51.12292422212103,
"volume_molar": 7.696736143210659,
"formula_full": "Ti1 Al1 Ni2",
"formula_reduced": "TiAlNi2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.7345739833333336,
"spacegroup": 225
},
{
"id": "jvasp-106325",
"created_at": "2022-09-04T14:38:40.267737Z",
"updated_at": "2022-09-04T14:38:40.267766Z",
"structure_string": "Ti1 Al1 Ni2\n1.0\n2.977969 0.000000 -0.000000\n0.000000 2.977969 -0.000000\n-0.000000 0.000000 5.856915\nTi Al Ni\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.250560 Ni\n0.500000 0.500000 0.749441 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Al",
"Ni"
],
"chemical_system": "Al-Ni-Ti",
"density": 6.145724079384208,
"density_atomic": 0.07701063864844074,
"volume": 51.94087557513055,
"volume_molar": 7.819881597777052,
"formula_full": "Ti1 Al1 Ni2",
"formula_reduced": "TiAlNi2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.7618339833333334,
"spacegroup": 123
},
{
"id": "jvasp-107736",
"created_at": "2022-09-04T14:35:45.393184Z",
"updated_at": "2022-09-04T14:35:45.393217Z",
"structure_string": "Ti1 Al1 Ni6\n1.0\n3.583655 0.000000 0.000000\n0.000000 3.583655 0.000000\n0.000000 -0.000000 7.086399\nTi Al Ni\n1 1 6\ndirect\n0.000000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Al\n0.499999 0.499999 -0.000000 Ni\n0.499999 0.499999 0.500000 Ni\n0.499999 0.000000 0.247587 Ni\n0.499999 0.000000 0.752413 Ni\n-0.000000 0.499999 0.247587 Ni\n-0.000000 0.499999 0.752413 Ni\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ti",
"Al",
"Ni"
],
"chemical_system": "Al-Ni-Ti",
"density": 7.7912667840640895,
"density_atomic": 0.08790468029525425,
"volume": 91.0076684555316,
"volume_molar": 6.85076237098279,
"formula_full": "Ti1 Al1 Ni6",
"formula_reduced": "TiAlNi6",
"formula_anonymous": "ABC6",
"energy_above_hull": 1.6456769416666668,
"spacegroup": 123
},
{
"id": "jvasp-16933",
"created_at": "2022-09-04T14:35:54.407124Z",
"updated_at": "2022-09-04T14:35:54.407150Z",
"structure_string": "Ti1 Al1 O3\n1.0\n3.860321 0.000000 -0.000000\n0.000000 3.860321 0.000000\n0.000000 0.000000 3.860472\nTi Al O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ti",
"Al",
"O"
],
"chemical_system": "Al-O-Ti",
"density": 3.545891829616571,
"density_atomic": 0.08691260333167838,
"volume": 57.52905572185953,
"volume_molar": 6.92896142693843,
"formula_full": "Ti1 Al1 O3",
"formula_reduced": "TiAlO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.276760326666667,
"spacegroup": 221
},
{
"id": "jvasp-43075",
"created_at": "2022-09-04T14:38:11.768463Z",
"updated_at": "2022-09-04T14:38:11.768488Z",
"structure_string": "Ti2 Al2 O6\n1.0\n4.930960 -0.016919 -0.041819\n2.450026 4.261773 -0.006871\n2.417242 1.429719 4.603397\nTi Al O\n2 2 6\ndirect\n0.642855 0.642898 0.054875 Ti\n0.357145 0.357101 0.945126 Ti\n0.847733 0.849019 0.454948 Al\n0.152267 0.150980 0.545053 Al\n0.945614 0.229278 0.262041 O\n0.556491 0.947214 0.265339 O\n0.224260 0.561893 0.268430 O\n0.775741 0.438106 0.731570 O\n0.443509 0.052785 0.734662 O\n0.054386 0.770721 0.737959 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ti",
"Al",
"O"
],
"chemical_system": "Al-O-Ti",
"density": 4.194662619595685,
"density_atomic": 0.10281448670321135,
"volume": 97.26255823137477,
"volume_molar": 5.857288163470356,
"formula_full": "Ti2 Al2 O6",
"formula_reduced": "TiAlO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.083836326666667,
"spacegroup": 2
},
{
"id": "jvasp-41563",
"created_at": "2022-09-04T14:37:52.386981Z",
"updated_at": "2022-09-04T14:37:52.387001Z",
"structure_string": "Ti1 Al1 Os2\n1.0\n-0.000030 3.065465 3.065465\n3.065465 -0.000030 3.065465\n3.065465 3.065465 -0.000030\nTi Al Os\n1 1 2\ndirect\n0.749999 0.749999 0.749999 Ti\n0.250001 0.250001 0.250001 Al\n0.000006 0.000006 0.000006 Os\n0.499997 0.499997 0.499997 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Al",
"Os"
],
"chemical_system": "Al-Os-Ti",
"density": 13.122888404906604,
"density_atomic": 0.06942798079072071,
"volume": 57.61365885113879,
"volume_molar": 8.673939082504441,
"formula_full": "Ti1 Al1 Os2",
"formula_reduced": "TiAlOs2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.2009252833333335,
"spacegroup": 225
},
{
"id": "jvasp-104676",
"created_at": "2022-09-04T14:36:47.661163Z",
"updated_at": "2022-09-04T14:36:47.661186Z",
"structure_string": "Ti1 Al1 Pd2\n1.0\n2.904489 0.000000 0.000000\n0.000000 2.904489 0.000000\n-0.000000 -0.000000 7.108660\nTi Al Pd\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.229081 Pd\n0.500000 0.500000 0.770919 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Al",
"Pd"
],
"chemical_system": "Al-Pd-Ti",
"density": 7.966075948273228,
"density_atomic": 0.06670106625086139,
"volume": 59.96905634095981,
"volume_molar": 9.028552463240764,
"formula_full": "Ti1 Al1 Pd2",
"formula_reduced": "TiAlPd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.026860633333333,
"spacegroup": 123
},
{
"id": "jvasp-41562",
"created_at": "2022-09-04T14:37:44.704879Z",
"updated_at": "2022-09-04T14:37:44.704904Z",
"structure_string": "Ti1 Al1 Pd2\n1.0\n-0.000000 3.125330 3.125330\n3.125330 0.000000 3.125330\n3.125330 3.125330 0.000000\nTi Al Pd\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Ti\n0.249999 0.249999 0.249999 Al\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Al",
"Pd"
],
"chemical_system": "Al-Pd-Ti",
"density": 7.824453603088836,
"density_atomic": 0.06551524257932156,
"volume": 61.05449422944687,
"volume_molar": 9.19196895700842,
"formula_full": "Ti1 Al1 Pd2",
"formula_reduced": "TiAlPd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.0205881333333333,
"spacegroup": 225
}
]
}