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_full&page=543",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_full&page=541",
"results": [
{
"id": "jvasp-4777",
"created_at": "2022-09-04T14:37:01.038110Z",
"updated_at": "2022-09-04T14:37:01.038126Z",
"structure_string": "Tl1 Fe2 S2\n1.0\n3.488731 0.000000 -0.944632\n-0.255774 3.479343 -0.944632\n0.189779 0.204243 7.615539\nTl Fe S\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tl\n0.250001 0.749999 0.500000 Fe\n0.750000 0.249999 0.500000 Fe\n0.646393 0.646391 0.292784 S\n0.353608 0.353607 0.707217 S\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Tl",
"Fe",
"S"
],
"chemical_system": "Fe-S-Tl",
"density": 6.731637537684829,
"density_atomic": 0.05331209488614014,
"volume": 93.78734808074255,
"volume_molar": 11.29601223298695,
"formula_full": "Tl1 Fe2 S2",
"formula_reduced": "Tl(FeS)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.06347672,
"spacegroup": 139
},
{
"id": "jvasp-16729",
"created_at": "2022-09-04T14:38:28.714044Z",
"updated_at": "2022-09-04T14:38:28.714071Z",
"structure_string": "Tl1 Fe2 S2\n1.0\n3.488729 0.000000 -0.944631\n-0.255774 3.479340 -0.944631\n0.189781 0.204245 7.615540\nTl Fe S\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tl\n0.250001 0.749999 0.500000 Fe\n0.750000 0.249999 0.500000 Fe\n0.646393 0.646392 0.292783 S\n0.353608 0.353607 0.707217 S\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Tl",
"Fe",
"S"
],
"chemical_system": "Fe-S-Tl",
"density": 6.731645380059595,
"density_atomic": 0.053312156994865585,
"volume": 93.787238818372,
"volume_molar": 11.295999073119445,
"formula_full": "Tl1 Fe2 S2",
"formula_reduced": "Tl(FeS)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.06347672,
"spacegroup": 139
},
{
"id": "jvasp-37018",
"created_at": "2022-09-04T14:37:57.930233Z",
"updated_at": "2022-09-04T14:37:57.930255Z",
"structure_string": "Tl1 Fe1 Se2\n1.0\n3.843464 -0.000000 -0.000000\n-0.000000 3.843464 -0.000000\n-1.921731 -1.921731 6.716037\nTl Fe Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tl\n0.250000 0.750000 0.500000 Fe\n0.650485 0.650485 0.300971 Se\n0.349515 0.349515 0.699029 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tl",
"Fe",
"Se"
],
"chemical_system": "Fe-Se-Tl",
"density": 6.998753822347159,
"density_atomic": 0.04031821310987312,
"volume": 99.21074599956614,
"volume_molar": 14.936526932849857,
"formula_full": "Tl1 Fe1 Se2",
"formula_reduced": "TlFeSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.3440312083333332,
"spacegroup": 119
},
{
"id": "jvasp-16844",
"created_at": "2022-09-04T14:38:29.552507Z",
"updated_at": "2022-09-04T14:38:29.552522Z",
"structure_string": "Tl1 Fe1 S2\n1.0\n3.543072 0.000000 -0.959404\n-0.259791 3.533535 -0.959404\n-0.074995 -0.080711 6.745014\nTl Fe S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tl\n0.749999 0.250000 0.500000 Fe\n0.663082 0.663082 0.326167 S\n0.336916 0.336917 0.673833 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tl",
"Fe",
"S"
],
"chemical_system": "Fe-S-Tl",
"density": 6.419971335225941,
"density_atomic": 0.047678102973479033,
"volume": 83.89595538700442,
"volume_molar": 12.630831313380524,
"formula_full": "Tl1 Fe1 S2",
"formula_reduced": "TlFeS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.553709525,
"spacegroup": 119
},
{
"id": "jvasp-4822",
"created_at": "2022-09-04T14:37:13.022577Z",
"updated_at": "2022-09-04T14:37:13.022597Z",
"structure_string": "Tl1 Fe1 S2\n1.0\n3.543043 0.000000 -0.959397\n-0.259789 3.533506 -0.959397\n-0.074941 -0.080652 6.745158\nTl Fe S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tl\n0.749999 0.250001 0.500000 Fe\n0.663082 0.663083 0.326166 S\n0.336917 0.336918 0.673834 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tl",
"Fe",
"S"
],
"chemical_system": "Fe-S-Tl",
"density": 6.419908175207642,
"density_atomic": 0.04767763391377472,
"volume": 83.89678076798072,
"volume_molar": 12.63095557739102,
"formula_full": "Tl1 Fe1 S2",
"formula_reduced": "TlFeS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.553709525,
"spacegroup": 119
},
{
"id": "jvasp-36884",
"created_at": "2022-09-04T14:38:08.274865Z",
"updated_at": "2022-09-04T14:38:08.274891Z",
"structure_string": "Tl1 Fe1 F3\n1.0\n4.182457 -0.045691 -0.004043\n0.049179 4.182888 -0.003860\n0.004477 0.004190 4.184955\nTl Fe F\n1 1 3\ndirect\n0.990070 0.992047 0.993999 Tl\n0.489960 0.491961 0.494017 Fe\n0.989965 0.492036 0.493989 F\n0.490014 0.991974 0.493988 F\n0.489995 0.491986 0.994016 F\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Tl",
"Fe",
"F"
],
"chemical_system": "F-Fe-Tl",
"density": 7.193815947780626,
"density_atomic": 0.06828335691239537,
"volume": 73.22428518584384,
"volume_molar": 8.819339048790688,
"formula_full": "Tl1 Fe1 F3",
"formula_reduced": "TlFeF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.1840521231666667,
"spacegroup": 221
},
{
"id": "jvasp-7988",
"created_at": "2022-09-04T14:37:05.998275Z",
"updated_at": "2022-09-04T14:37:05.998293Z",
"structure_string": "Tl1 F1\n1.0\n3.504585 0.000000 -1.839546\n-0.965573 3.368944 -1.839546\n-0.162318 -0.215376 3.948889\nTl F\n1 1\ndirect\n0.000000 0.000000 0.000000 Tl\n0.499999 0.499999 -0.000002 F\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tl",
"F"
],
"chemical_system": "F-Tl",
"density": 8.459820951852345,
"density_atomic": 0.04561361281093315,
"volume": 43.846559760348974,
"volume_molar": 13.20250773592867,
"formula_full": "Tl1 F1",
"formula_reduced": "TlF",
"formula_anonymous": "AB",
"energy_above_hull": 0.01427,
"spacegroup": 225
},
{
"id": "jvasp-12852",
"created_at": "2022-09-04T14:38:28.202929Z",
"updated_at": "2022-09-04T14:38:28.202952Z",
"structure_string": "Tl1 Cu6 S4\n1.0\n3.886449 0.000000 -0.624779\n-0.100438 3.885151 -0.624779\n0.010544 0.010820 12.465852\nTl Cu S\n1 6 4\ndirect\n0.000000 0.000000 0.000000 Tl\n0.249999 0.750000 0.500000 Cu\n0.372020 0.872021 0.744043 Cu\n0.627978 0.127978 0.255957 Cu\n0.127978 0.627978 0.255957 Cu\n0.872021 0.372021 0.744043 Cu\n0.750000 0.250000 0.500000 Cu\n0.420445 0.420446 0.840893 S\n0.193979 0.193980 0.387959 S\n0.806020 0.806020 0.612041 S\n0.579554 0.579554 0.159107 S\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Tl",
"Cu",
"S"
],
"chemical_system": "Cu-S-Tl",
"density": 6.296426767835027,
"density_atomic": 0.058423641332349216,
"volume": 188.2799453978794,
"volume_molar": 10.307712122464947,
"formula_full": "Tl1 Cu6 S4",
"formula_reduced": "Tl(Cu3S2)2",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.4636941181818181,
"spacegroup": 139
},
{
"id": "jvasp-12871",
"created_at": "2022-09-04T14:37:27.104966Z",
"updated_at": "2022-09-04T14:37:27.104986Z",
"structure_string": "Tl1 Cu4 S3\n1.0\n3.893332 0.000000 0.000000\n0.000000 3.893332 0.000000\n-0.000000 0.000000 9.441299\nTl Cu S\n1 4 3\ndirect\n0.000000 0.000000 0.500000 Tl\n0.500000 0.000000 0.161487 Cu\n0.500000 0.000000 0.838513 Cu\n0.000000 0.500000 0.838513 Cu\n0.000000 0.500000 0.161487 Cu\n0.500000 0.500000 0.705725 S\n0.500000 0.500000 0.294275 S\n0.000000 0.000000 0.000000 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Tl",
"Cu",
"S"
],
"chemical_system": "Cu-S-Tl",
"density": 6.436968845373789,
"density_atomic": 0.05590045678009737,
"volume": 143.1115318336414,
"volume_molar": 10.772972363517617,
"formula_full": "Tl1 Cu4 S3",
"formula_reduced": "TlCu4S3",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.4554405500000001,
"spacegroup": 123
},
{
"id": "jvasp-16028",
"created_at": "2022-09-04T14:36:34.720281Z",
"updated_at": "2022-09-04T14:36:34.720308Z",
"structure_string": "Tl1 Cu4 S3\n1.0\n3.893163 0.000000 0.000000\n0.000000 3.893163 0.000000\n0.000000 0.000000 9.441279\nTl Cu S\n1 4 3\ndirect\n0.000000 0.000000 0.500000 Tl\n0.500000 0.000000 0.161484 Cu\n0.500000 0.000000 0.838516 Cu\n0.000000 0.500000 0.838516 Cu\n0.000000 0.500000 0.161484 Cu\n0.500000 0.500000 0.705703 S\n0.500000 0.500000 0.294297 S\n0.000000 0.000000 0.000000 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Tl",
"Cu",
"S"
],
"chemical_system": "Cu-S-Tl",
"density": 6.437541344826632,
"density_atomic": 0.05590542852715549,
"volume": 143.09880472723827,
"volume_molar": 10.77201430818978,
"formula_full": "Tl1 Cu4 S3",
"formula_reduced": "TlCu4S3",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.4554368000000001,
"spacegroup": 123
},
{
"id": "jvasp-12860",
"created_at": "2022-09-04T14:38:10.282820Z",
"updated_at": "2022-09-04T14:38:10.282829Z",
"structure_string": "Tl1 Cu2 Te2\n1.0\n3.881011 -0.000000 -1.051985\n-0.285151 3.870522 -1.051985\n0.155032 0.166874 8.256909\nTl Cu Te\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tl\n0.749999 0.249999 0.500000 Cu\n0.250000 0.749999 0.500000 Cu\n0.638975 0.638975 0.277951 Te\n0.361024 0.361024 0.722050 Te\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Tl",
"Cu",
"Te"
],
"chemical_system": "Cu-Te-Tl",
"density": 7.769084290398247,
"density_atomic": 0.039874287522630815,
"volume": 125.39409004266795,
"volume_molar": 15.102817214181217,
"formula_full": "Tl1 Cu2 Te2",
"formula_reduced": "Tl(CuTe)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.0608910991666667,
"spacegroup": 139
},
{
"id": "jvasp-12834",
"created_at": "2022-09-04T14:37:14.713865Z",
"updated_at": "2022-09-04T14:37:14.713890Z",
"structure_string": "Tl1 Cu2 Se2\n1.0\n3.747028 0.000000 -0.992174\n-0.262717 3.737806 -0.992174\n0.021500 0.023065 7.652769\nTl Cu Se\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tl\n0.250000 0.750001 0.500001 Cu\n0.750000 0.250001 0.500001 Cu\n0.641469 0.641470 0.282937 Se\n0.358531 0.358533 0.717064 Se\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Tl",
"Cu",
"Se"
],
"chemical_system": "Cu-Se-Tl",
"density": 7.5699369461255825,
"density_atomic": 0.04657505481728856,
"volume": 107.35360419037039,
"volume_molar": 12.929970310554726,
"formula_full": "Tl1 Cu2 Se2",
"formula_reduced": "Tl(CuSe)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.2247400466666668,
"spacegroup": 139
}
]
}