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=656",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=654",
"results": [
{
"id": "jvasp-41696",
"created_at": "2022-09-04T14:37:43.618470Z",
"updated_at": "2022-09-04T14:37:43.618487Z",
"structure_string": "Ti2 Al1 Re1\n1.0\n-0.000008 3.144059 3.144056\n3.144049 -0.000004 3.144052\n3.144039 3.144044 0.000007\nTi Al Re\n2 1 1\ndirect\n1.000000 0.999998 0.000002 Ti\n0.500001 0.500001 0.499999 Ti\n0.249999 0.249999 0.249999 Al\n0.750002 0.750000 0.749999 Re\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Al",
"Re"
],
"chemical_system": "Al-Re-Ti",
"density": 8.252776589126961,
"density_atomic": 0.06435190196605525,
"volume": 62.158224975385274,
"volume_molar": 9.358139504837942,
"formula_full": "Ti2 Al1 Re1",
"formula_reduced": "Ti2AlRe",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.952484366666667,
"spacegroup": 225
},
{
"id": "jvasp-58463",
"created_at": "2022-09-04T14:38:34.215467Z",
"updated_at": "2022-09-04T14:38:34.215493Z",
"structure_string": "Ti4 Al2 O8\n1.0\n5.141406 0.042670 2.899214\n1.713298 4.847730 2.899214\n0.059808 0.042670 5.902197\nTi Al O\n4 2 8\ndirect\n0.000000 0.500000 -0.000000 Ti\n0.000000 0.000000 0.000000 Ti\n0.500000 0.000000 -0.000001 Ti\n0.000000 0.000000 0.500000 Ti\n0.625007 0.625006 0.625005 Al\n0.374994 0.374994 0.374993 Al\n0.256366 0.747885 0.747884 O\n0.252115 0.252115 0.743635 O\n0.252115 0.743635 0.252114 O\n0.252117 0.252117 0.252117 O\n0.747886 0.747885 0.256363 O\n0.743636 0.252115 0.252114 O\n0.747886 0.256365 0.747884 O\n0.747884 0.747883 0.747882 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ti",
"Al",
"O"
],
"chemical_system": "Al-O-Ti",
"density": 4.264168779484149,
"density_atomic": 0.09627387430317473,
"volume": 145.41847517128886,
"volume_molar": 6.255218047043333,
"formula_full": "Ti4 Al2 O8",
"formula_reduced": "Ti2AlO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.660763352380952,
"spacegroup": 227
},
{
"id": "jvasp-79462",
"created_at": "2022-09-04T14:37:07.454349Z",
"updated_at": "2022-09-04T14:37:07.454378Z",
"structure_string": "Ti2 Al1 Ni1\n1.0\n-3.093316 -3.093316 0.000000\n-3.093316 -0.000000 -3.093316\n0.000000 -3.093316 -3.093316\nTi Al Ni\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.250000 Ti\n0.750001 0.750001 0.750001 Al\n0.500001 0.500001 0.500001 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Al",
"Ni"
],
"chemical_system": "Al-Ni-Ti",
"density": 5.088677410902284,
"density_atomic": 0.06757049988335267,
"volume": 59.19743093369476,
"volume_molar": 8.912381542827202,
"formula_full": "Ti2 Al1 Ni1",
"formula_reduced": "Ti2AlNi",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.5261254666666666,
"spacegroup": 216
},
{
"id": "jvasp-111304",
"created_at": "2022-09-04T14:38:47.874373Z",
"updated_at": "2022-09-04T14:38:47.874382Z",
"structure_string": "Ti2 Al1 Ni1\n1.0\n3.798850 -0.000000 2.193267\n1.266283 3.581590 2.193267\n-0.000000 -0.000000 4.386534\nTi Al Ni\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ti\n0.749999 0.750000 0.750001 Ti\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Al",
"Ni"
],
"chemical_system": "Al-Ni-Ti",
"density": 5.047290081917454,
"density_atomic": 0.06702093419417178,
"volume": 59.682844593172575,
"volume_molar": 8.985462277432253,
"formula_full": "Ti2 Al1 Ni1",
"formula_reduced": "Ti2AlNi",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.522822966666667,
"spacegroup": 225
},
{
"id": "jvasp-14397",
"created_at": "2022-09-04T14:38:10.568870Z",
"updated_at": "2022-09-04T14:38:10.568886Z",
"structure_string": "Ti4 Al2 N2\n1.0\n1.500381 -2.598735 0.000000\n1.500381 2.598735 0.000000\n0.000000 0.000000 13.634213\nTi Al N\n4 2 2\ndirect\n0.666667 0.333332 0.914504 Ti\n0.333332 0.666667 0.414504 Ti\n0.333332 0.666667 0.085495 Ti\n0.666667 0.333332 0.585495 Ti\n0.666667 0.333332 0.250000 Al\n0.333332 0.666667 0.750000 Al\n0.000000 0.000000 0.000000 N\n0.000000 0.000000 0.500000 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ti",
"Al",
"N"
],
"chemical_system": "Al-N-Ti",
"density": 4.270656409489383,
"density_atomic": 0.07524304548485948,
"volume": 106.32211852203368,
"volume_molar": 8.003584545513625,
"formula_full": "Ti4 Al2 N2",
"formula_reduced": "Ti2AlN",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.305345679166667,
"spacegroup": 194
},
{
"id": "jvasp-91942",
"created_at": "2022-09-04T14:38:17.749128Z",
"updated_at": "2022-09-04T14:38:17.749173Z",
"structure_string": "Ti4 Al2 N2\n1.0\n-1.500368 -2.598732 0.000000\n-1.500368 2.598732 -0.000000\n0.000000 0.000000 -13.634109\nTi Al N\n4 2 2\ndirect\n0.666664 0.333338 0.585501 Ti\n0.333338 0.666664 0.414499 Ti\n0.333338 0.666664 0.085501 Ti\n0.666664 0.333338 0.914499 Ti\n0.666681 0.333320 0.250000 Al\n0.333320 0.666681 0.750000 Al\n0.000000 0.000000 0.500000 N\n0.000000 0.000000 0.000000 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ti",
"Al",
"N"
],
"chemical_system": "Al-N-Ti",
"density": 4.270730919473255,
"density_atomic": 0.07524435824748144,
"volume": 106.32026355634144,
"volume_molar": 8.00344490970733,
"formula_full": "Ti4 Al2 N2",
"formula_reduced": "Ti2AlN",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.3053431791666665,
"spacegroup": 194
},
{
"id": "jvasp-15492",
"created_at": "2022-09-04T14:35:54.806805Z",
"updated_at": "2022-09-04T14:35:54.806824Z",
"structure_string": "Ti4 Al2 N2\n1.0\n1.500381 -2.598735 0.000000\n1.500381 2.598735 -0.000000\n0.000000 0.000000 13.634213\nTi Al N\n4 2 2\ndirect\n0.666667 0.333332 0.914504 Ti\n0.333332 0.666667 0.414504 Ti\n0.333332 0.666667 0.085495 Ti\n0.666667 0.333332 0.585495 Ti\n0.666667 0.333332 0.250000 Al\n0.333332 0.666667 0.750000 Al\n0.000000 0.000000 0.000000 N\n0.000000 0.000000 0.500000 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ti",
"Al",
"N"
],
"chemical_system": "Al-N-Ti",
"density": 4.270656409489383,
"density_atomic": 0.07524304548485948,
"volume": 106.32211852203368,
"volume_molar": 8.003584545513625,
"formula_full": "Ti4 Al2 N2",
"formula_reduced": "Ti2AlN",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.305345679166667,
"spacegroup": 194
},
{
"id": "jvasp-42889",
"created_at": "2022-09-04T14:36:52.310735Z",
"updated_at": "2022-09-04T14:36:52.310765Z",
"structure_string": "Ti2 Al1 Mo1\n1.0\n0.000000 3.174099 3.174099\n3.174099 0.000000 3.174099\n3.174099 3.174099 0.000000\nTi Al Mo\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.499999 0.499999 0.499999 Ti\n0.249999 0.249999 0.249999 Al\n0.750001 0.750001 0.750001 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Al",
"Mo"
],
"chemical_system": "Al-Mo-Ti",
"density": 5.6769906591816905,
"density_atomic": 0.06254154287333812,
"volume": 63.95748835459618,
"volume_molar": 9.629024938185974,
"formula_full": "Ti2 Al1 Mo1",
"formula_reduced": "Ti2AlMo",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.7481738416666666,
"spacegroup": 225
},
{
"id": "jvasp-101685",
"created_at": "2022-09-04T14:36:46.799065Z",
"updated_at": "2022-09-04T14:36:46.799075Z",
"structure_string": "Ti2 Al1 Ge3\n1.0\n7.345361 -0.021746 0.000000\n-6.408306 3.590045 0.000000\n-0.000000 -0.000000 3.694362\nTi Al Ge\n2 1 3\ndirect\n0.900474 0.099524 -0.000000 Ti\n0.099780 0.900217 0.500000 Ti\n0.750913 0.249085 0.500000 Al\n0.248958 0.751039 -0.000000 Ge\n0.566533 0.433464 -0.000000 Ge\n0.433333 0.566664 0.500000 Ge\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ti",
"Al",
"Ge"
],
"chemical_system": "Al-Ge-Ti",
"density": 5.836973381803001,
"density_atomic": 0.06191557488254108,
"volume": 96.90615021151773,
"volume_molar": 9.726374618057726,
"formula_full": "Ti2 Al1 Ge3",
"formula_reduced": "Ti2AlGe3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.094097886111111,
"spacegroup": 38
},
{
"id": "jvasp-37055",
"created_at": "2022-09-04T14:37:59.798800Z",
"updated_at": "2022-09-04T14:37:59.798824Z",
"structure_string": "Ti2 Al1 Fe1\n1.0\n3.058014 3.058014 -0.000000\n3.058014 0.000000 -3.058014\n-0.000000 3.058014 -3.058014\nTi Al Fe\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.749999 0.749999 0.749999 Ti\n0.250000 0.250000 0.250000 Al\n0.499999 0.499999 0.499999 Fe\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Al",
"Fe"
],
"chemical_system": "Al-Fe-Ti",
"density": 5.184252920793723,
"density_atomic": 0.06993773894284164,
"volume": 57.193727742172214,
"volume_molar": 8.610716976311952,
"formula_full": "Ti2 Al1 Fe1",
"formula_reduced": "Ti2AlFe",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.1277012416666663,
"spacegroup": 216
},
{
"id": "jvasp-37058",
"created_at": "2022-09-04T14:38:03.908022Z",
"updated_at": "2022-09-04T14:38:03.908040Z",
"structure_string": "Ti2 Al1 Cu1\n1.0\n3.150889 3.150889 0.000000\n3.150889 0.000000 -3.150889\n0.000000 3.150889 -3.150889\nTi Al Cu\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.750000 0.750000 0.750000 Ti\n0.250000 0.250000 0.250000 Al\n0.500000 0.500000 0.500000 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Al",
"Cu"
],
"chemical_system": "Al-Cu-Ti",
"density": 4.943596040683417,
"density_atomic": 0.06393382434533902,
"volume": 62.56469155347209,
"volume_molar": 9.4193344785248,
"formula_full": "Ti2 Al1 Cu1",
"formula_reduced": "Ti2AlCu",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.215472479166667,
"spacegroup": 216
},
{
"id": "jvasp-37062",
"created_at": "2022-09-04T14:37:58.096823Z",
"updated_at": "2022-09-04T14:37:58.096843Z",
"structure_string": "Ti2 Al1 Cr1\n1.0\n3.096858 3.096858 -0.000000\n3.096858 0.000000 -3.096858\n-0.000000 3.096858 -3.096858\nTi Al Cr\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.750001 0.750001 0.750001 Ti\n0.250000 0.250000 0.250000 Al\n0.500000 0.500000 0.500000 Cr\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Al",
"Cr"
],
"chemical_system": "Al-Cr-Ti",
"density": 4.884015823321931,
"density_atomic": 0.06733891573100087,
"volume": 59.401015840213724,
"volume_molar": 8.943031966918918,
"formula_full": "Ti2 Al1 Cr1",
"formula_reduced": "Ti2AlCr",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.5155592166666665,
"spacegroup": 216
}
]
}