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=structure_string&page=4103",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=structure_string&page=4101",
"results": [
{
"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-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-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-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-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-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-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-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-15125",
"created_at": "2022-09-04T14:37:01.067838Z",
"updated_at": "2022-09-04T14:37:01.067869Z",
"structure_string": "Tl1 Fe2 Se2\n1.0\n3.560976 -0.000000 -0.950347\n-0.253626 3.551932 -0.950347\n0.243345 0.261340 8.058532\nTl Fe Se\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tl\n0.249999 0.750000 0.499999 Fe\n0.750000 0.250000 0.499999 Fe\n0.641533 0.641533 0.283066 Se\n0.358466 0.358467 0.716934 Se\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Tl",
"Fe",
"Se"
],
"chemical_system": "Fe-Se-Tl",
"density": 7.5903116236043475,
"density_atomic": 0.04821790205199725,
"volume": 103.69592593655562,
"volume_molar": 12.489429244569456,
"formula_full": "Tl1 Fe2 Se2",
"formula_reduced": "Tl(FeSe)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.8745600666666669,
"spacegroup": 139
},
{
"id": "jvasp-36879",
"created_at": "2022-09-04T14:38:06.824988Z",
"updated_at": "2022-09-04T14:38:06.825004Z",
"structure_string": "Tl1 Ge1 Br3\n1.0\n5.543105 -0.138876 -0.166580\n-0.068842 5.541500 0.071832\n-0.058688 0.139886 5.544715\nTl Ge Br\n1 1 3\ndirect\n0.046350 0.946584 0.939600 Tl\n0.495927 0.492186 0.490249 Ge\n0.466154 0.020139 0.519700 Br\n0.966397 0.520456 0.520840 Br\n0.465175 0.520637 0.019604 Br\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Tl",
"Ge",
"Br"
],
"chemical_system": "Br-Ge-Tl",
"density": 5.042750797489488,
"density_atomic": 0.029384633806301342,
"volume": 170.1569613887032,
"volume_molar": 20.494183455533115,
"formula_full": "Tl1 Ge1 Br3",
"formula_reduced": "TlGeBr3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0109780000000002,
"spacegroup": 160
},
{
"id": "jvasp-120087",
"created_at": "2022-09-04T14:38:52.001156Z",
"updated_at": "2022-09-04T14:38:52.001195Z",
"structure_string": "Tl1 Ge1 Cl1\n1.0\n5.331288 0.000000 -0.000000\n-2.665644 4.617031 0.000000\n0.000000 -0.000000 3.163607\nTl Ge Cl\n1 1 1\ndirect\n0.666668 0.333333 0.000000 Tl\n0.333335 0.666667 0.000000 Ge\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Tl",
"Ge",
"Cl"
],
"chemical_system": "Cl-Ge-Tl",
"density": 6.66329005418175,
"density_atomic": 0.03852510156276586,
"volume": 77.87130671446357,
"volume_molar": 15.631732339987755,
"formula_full": "Tl1 Ge1 Cl1",
"formula_reduced": "TlGeCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1142307888888888,
"spacegroup": 187
},
{
"id": "jvasp-120089",
"created_at": "2022-09-04T14:38:44.669495Z",
"updated_at": "2022-09-04T14:38:44.669529Z",
"structure_string": "Tl1 Ge1 Cl2\n1.0\n3.957901 -0.000000 0.000000\n0.000000 3.957901 0.000000\n-0.000000 -0.000000 7.091415\nTl Ge Cl\n1 1 2\ndirect\n0.500000 0.500000 0.596943 Tl\n0.000000 0.000000 0.011297 Ge\n0.000000 0.000000 0.356607 Cl\n0.500000 0.500000 0.045153 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tl",
"Ge",
"Cl"
],
"chemical_system": "Cl-Ge-Tl",
"density": 5.2008861306669365,
"density_atomic": 0.03600785374089705,
"volume": 111.0868764570901,
"volume_molar": 16.724520165333168,
"formula_full": "Tl1 Ge1 Cl2",
"formula_reduced": "TlGeCl2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0447690458333332,
"spacegroup": 99
}
]
}