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=4127",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=structure_string&page=4125",
"results": [
{
"id": "jvasp-110876",
"created_at": "2022-09-04T14:38:48.015448Z",
"updated_at": "2022-09-04T14:38:48.015482Z",
"structure_string": "Tl3 Zn1\n1.0\n4.341453 -0.090395 -3.967177\n-0.903764 4.247304 -3.967177\n0.074755 0.090395 5.880571\nTl Zn\n3 1\ndirect\n0.750000 0.249999 0.499999 Tl\n0.250001 0.750000 0.500000 Tl\n0.500000 0.499999 -0.000001 Tl\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Tl",
"Zn"
],
"chemical_system": "Tl-Zn",
"density": 10.140003275361869,
"density_atomic": 0.03599659634687147,
"volume": 111.12161720666815,
"volume_molar": 16.72975050743484,
"formula_full": "Tl3 Zn1",
"formula_reduced": "Tl3Zn",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-99608",
"created_at": "2022-09-04T14:36:40.823448Z",
"updated_at": "2022-09-04T14:36:40.823470Z",
"structure_string": "Tl3 Zn1\n1.0\n4.799067 -0.000000 0.000000\n0.000000 4.799067 0.000000\n0.000000 0.000000 4.799067\nTl Zn\n3 1\ndirect\n0.500000 0.000000 0.500000 Tl\n0.500000 0.500000 -0.000000 Tl\n-0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Tl",
"Zn"
],
"chemical_system": "Tl-Zn",
"density": 10.194506544629041,
"density_atomic": 0.03619008072060559,
"volume": 110.52752357422943,
"volume_molar": 16.6403076204557,
"formula_full": "Tl3 Zn1",
"formula_reduced": "Tl3Zn",
"formula_anonymous": "AB3",
"energy_above_hull": 0.00296,
"spacegroup": 221
},
{
"id": "jvasp-25373",
"created_at": "2022-09-04T14:37:55.337066Z",
"updated_at": "2022-09-04T14:37:55.337087Z",
"structure_string": "Tl4\n1.0\n3.515313 0.000000 -0.000000\n-1.757657 3.044352 0.000000\n0.000000 0.000000 11.369980\nTl\n4\ndirect\n0.000000 0.000000 0.000000 Tl\n0.333333 0.666668 0.250000 Tl\n0.000000 0.000000 0.500000 Tl\n0.666665 0.333334 0.750000 Tl\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Tl"
],
"chemical_system": "Tl",
"density": 11.156704465084573,
"density_atomic": 0.03287315780187436,
"volume": 121.67982230693787,
"volume_molar": 18.319325439604196,
"formula_full": "Tl4",
"formula_reduced": "Tl",
"formula_anonymous": "A",
"energy_above_hull": 0.0174625999999999,
"spacegroup": 194
},
{
"id": "jvasp-13803",
"created_at": "2022-09-04T14:37:11.564227Z",
"updated_at": "2022-09-04T14:37:11.564247Z",
"structure_string": "Tl4 Ag4 Se4\n1.0\n4.680446 0.000000 0.000000\n-0.000000 7.629126 0.000000\n0.000000 0.000000 8.377793\nTl Ag Se\n4 4 4\ndirect\n0.750001 0.180580 0.006003 Tl\n0.250000 0.819421 0.993996 Tl\n0.750001 0.319420 0.506003 Tl\n0.250000 0.680580 0.493997 Tl\n0.250000 0.086606 0.676685 Ag\n0.750001 0.913395 0.323315 Ag\n0.250000 0.413395 0.176685 Ag\n0.750001 0.586606 0.823315 Ag\n0.750001 0.598429 0.182303 Se\n0.250000 0.401571 0.817696 Se\n0.750001 0.901572 0.682303 Se\n0.250000 0.098429 0.317696 Se\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Tl",
"Ag",
"Se"
],
"chemical_system": "Ag-Se-Tl",
"density": 8.686184492144012,
"density_atomic": 0.04011341105547565,
"volume": 299.15182190326215,
"volume_molar": 15.012786500932465,
"formula_full": "Tl4 Ag4 Se4",
"formula_reduced": "TlAgSe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0575977422222221,
"spacegroup": 62
},
{
"id": "jvasp-9744",
"created_at": "2022-09-04T14:37:35.596217Z",
"updated_at": "2022-09-04T14:37:35.596240Z",
"structure_string": "Tl4 Ag4 Te4\n1.0\n4.910599 -0.000000 0.000000\n0.000000 8.036446 0.000000\n0.000000 0.000000 8.673679\nTl Ag Te\n4 4 4\ndirect\n0.250000 0.179447 0.987353 Tl\n0.750000 0.679447 0.512647 Tl\n0.250000 0.320553 0.487353 Tl\n0.750000 0.820554 0.012647 Tl\n0.250000 0.587968 0.170657 Ag\n0.750000 0.412032 0.829343 Ag\n0.750000 0.087968 0.329343 Ag\n0.250000 0.912032 0.670657 Ag\n0.750000 0.403383 0.187039 Te\n0.750000 0.096617 0.687039 Te\n0.250000 0.596618 0.812962 Te\n0.250000 0.903383 0.312961 Te\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Tl",
"Ag",
"Te"
],
"chemical_system": "Ag-Te-Tl",
"density": 8.535192465168818,
"density_atomic": 0.03505737535738821,
"volume": 342.29601838892495,
"volume_molar": 17.17795670271379,
"formula_full": "Tl4 Ag4 Te4",
"formula_reduced": "TlAgTe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0060669207407406,
"spacegroup": 62
},
{
"id": "jvasp-111662",
"created_at": "2022-09-04T14:38:50.750143Z",
"updated_at": "2022-09-04T14:38:50.750171Z",
"structure_string": "Tl4 As4 O16\n1.0\n4.868181 0.000000 0.000000\n0.000000 4.993104 0.011835\n0.000000 -0.029242 12.455146\nTl As O\n4 4 16\ndirect\n0.499808 0.250159 0.632623 Tl\n0.999807 0.749840 0.867378 Tl\n0.500192 0.749840 0.367377 Tl\n0.000192 0.250159 0.132622 Tl\n0.999799 0.750142 0.605749 As\n0.499799 0.249858 0.894251 As\n0.000201 0.249857 0.394251 As\n0.500201 0.750142 0.105749 As\n0.330634 0.036034 0.806350 O\n0.830634 0.963966 0.693650 O\n0.331236 0.536182 0.193682 O\n0.831236 0.463817 0.306318 O\n0.668764 0.463818 0.806318 O\n0.168764 0.536182 0.693682 O\n0.748802 0.562796 0.039290 O\n0.251317 0.937251 0.039346 O\n0.251198 0.437204 0.960710 O\n0.751197 0.562796 0.539290 O\n0.169366 0.036034 0.306350 O\n0.751317 0.062749 0.460654 O\n0.748682 0.062749 0.960654 O\n0.248682 0.937251 0.539346 O\n0.248802 0.437204 0.460710 O\n0.669366 0.963966 0.193649 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Tl",
"As",
"O"
],
"chemical_system": "As-O-Tl",
"density": 7.531777578720133,
"density_atomic": 0.0792725216409537,
"volume": 302.75307891304845,
"volume_molar": 7.596756903074024,
"formula_full": "Tl4 As4 O16",
"formula_reduced": "TlAsO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.9218997250000005,
"spacegroup": 60
},
{
"id": "jvasp-93468",
"created_at": "2022-09-04T14:36:12.858376Z",
"updated_at": "2022-09-04T14:36:12.858412Z",
"structure_string": "Tl4 Au2\n1.0\n-3.886161 3.886161 2.715270\n3.886161 -3.886161 2.715270\n3.886161 3.886161 -2.715270\nTl Au\n4 2\ndirect\n0.651935 0.151935 0.803871 Tl\n0.848064 0.651935 0.500000 Tl\n0.151935 0.348064 0.500000 Tl\n0.348065 0.848064 0.196129 Tl\n0.000000 0.000000 0.000000 Au\n0.500000 0.500000 0.000000 Au\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Tl",
"Au"
],
"chemical_system": "Au-Tl",
"density": 12.264387335803828,
"density_atomic": 0.03657940691220217,
"volume": 164.02671629972542,
"volume_molar": 16.46319956595888,
"formula_full": "Tl4 Au2",
"formula_reduced": "Tl2Au",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0615152855555555,
"spacegroup": 140
},
{
"id": "jvasp-18674",
"created_at": "2022-09-04T14:36:44.519492Z",
"updated_at": "2022-09-04T14:36:44.519512Z",
"structure_string": "Tl4 Au2\n1.0\n5.014149 -0.000000 2.734850\n2.507075 5.253767 1.367425\n-0.008604 -0.000000 5.979738\nTl Au\n4 2\ndirect\n0.154246 0.500000 0.191509 Tl\n0.345753 0.808492 0.500001 Tl\n0.654247 0.191508 0.500000 Tl\n0.845754 0.500000 0.808492 Tl\n0.250000 0.000000 -0.000000 Au\n0.750000 0.000000 -0.000000 Au\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Tl",
"Au"
],
"chemical_system": "Au-Tl",
"density": 12.760554657417734,
"density_atomic": 0.038059261213677795,
"volume": 157.64888252333472,
"volume_molar": 15.823062686870427,
"formula_full": "Tl4 Au2",
"formula_reduced": "Tl2Au",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0553386188888888,
"spacegroup": 140
},
{
"id": "jvasp-13064",
"created_at": "2022-09-04T14:36:48.364392Z",
"updated_at": "2022-09-04T14:36:48.364422Z",
"structure_string": "Tl4 Au8 S6\n1.0\n4.819376 0.000000 0.000000\n0.000000 7.609536 0.000000\n0.000000 0.000000 12.077758\nTl Au S\n4 8 6\ndirect\n0.729527 0.777683 0.500000 Tl\n0.729527 0.222317 0.500000 Tl\n0.270473 0.722317 0.000000 Tl\n0.270473 0.277683 0.000000 Tl\n0.441742 0.500000 0.659770 Au\n0.000000 0.250000 0.250000 Au\n0.558259 0.000000 0.840231 Au\n0.441742 0.500000 0.340231 Au\n0.000000 0.750000 0.250000 Au\n0.000000 0.750000 0.750000 Au\n0.000000 0.250000 0.750000 Au\n0.558259 0.000000 0.159769 Au\n0.831508 0.000000 0.000000 S\n0.168492 0.500000 0.500000 S\n0.751468 0.500000 0.189836 S\n0.751468 0.500000 0.810165 S\n0.248533 0.000000 0.689836 S\n0.248533 0.000000 0.310164 S\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Tl",
"Au",
"S"
],
"chemical_system": "Au-S-Tl",
"density": 9.693586518742292,
"density_atomic": 0.040638455613522216,
"volume": 442.93021789958476,
"volume_molar": 14.818822883604286,
"formula_full": "Tl4 Au8 S6",
"formula_reduced": "Tl2Au4S3",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 0.7736294977777778,
"spacegroup": 59
},
{
"id": "jvasp-58916",
"created_at": "2022-09-04T14:36:53.602033Z",
"updated_at": "2022-09-04T14:36:53.602053Z",
"structure_string": "Tl4 B4 S12\n1.0\n0.000000 5.793703 -0.030166\n11.824039 0.000000 0.000000\n0.000000 -2.785536 -6.299421\nTl B S\n4 4 12\ndirect\n0.279779 0.918309 0.745753 Tl\n0.220220 0.418309 0.254247 Tl\n0.720220 0.081691 0.254248 Tl\n0.779779 0.581691 0.745753 Tl\n0.363029 0.770844 0.301995 B\n0.136970 0.270844 0.698006 B\n0.636970 0.229156 0.698006 B\n0.863029 0.729156 0.301995 B\n0.791222 0.304499 0.530809 S\n0.708777 0.804499 0.469192 S\n0.174310 0.906123 0.192235 S\n0.325689 0.406123 0.807765 S\n0.825689 0.093877 0.807765 S\n0.667314 0.317996 0.946393 S\n0.332685 0.682004 0.053607 S\n0.167314 0.182004 0.946393 S\n0.291222 0.195501 0.530809 S\n0.832685 0.817996 0.053607 S\n0.674310 0.593877 0.192236 S\n0.208777 0.695501 0.469192 S\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Tl",
"B",
"S"
],
"chemical_system": "B-S-Tl",
"density": 4.78179896310201,
"density_atomic": 0.046239010864814335,
"volume": 432.5352040611889,
"volume_molar": 13.023939412559015,
"formula_full": "Tl4 B4 S12",
"formula_reduced": "TlBS3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.939725036666667,
"spacegroup": 14
},
{
"id": "jvasp-25779",
"created_at": "2022-09-04T14:38:16.711602Z",
"updated_at": "2022-09-04T14:38:16.711621Z",
"structure_string": "Tl4 Bi4 P8 S28\n1.0\n0.000000 9.152283 -0.006683\n12.367546 0.000000 0.000000\n0.000000 -0.068960 -9.571258\nTl Bi P S\n4 4 8 28\ndirect\n0.878321 0.310657 0.881858 Tl\n0.621679 0.810657 0.118142 Tl\n0.121679 0.689344 0.118142 Tl\n0.378321 0.189343 0.881858 Tl\n0.116335 0.361264 0.342720 Bi\n0.883664 0.638736 0.657280 Bi\n0.616335 0.138736 0.342720 Bi\n0.383664 0.861264 0.657280 Bi\n0.021389 0.897516 0.780534 P\n0.201701 0.462013 0.681268 P\n0.478611 0.397516 0.219466 P\n0.298299 0.962013 0.318732 P\n0.701701 0.037988 0.681268 P\n0.978611 0.102484 0.219466 P\n0.521389 0.602484 0.780534 P\n0.798299 0.537988 0.318732 P\n0.072900 0.827493 0.593759 S\n0.612430 0.293603 0.115650 S\n0.076135 0.946234 0.248503 S\n0.351207 0.804168 0.349491 S\n0.112430 0.206397 0.115650 S\n0.423865 0.446234 0.751497 S\n0.422924 0.027818 0.162816 S\n0.186938 0.555936 0.506163 S\n0.707015 0.554011 0.881122 S\n0.292985 0.445989 0.118878 S\n0.387570 0.706397 0.884350 S\n0.427100 0.327493 0.406241 S\n0.148793 0.304168 0.650509 S\n0.887570 0.793603 0.884350 S\n0.851207 0.695832 0.349491 S\n0.923865 0.053766 0.751497 S\n0.813061 0.444064 0.493837 S\n0.576135 0.553766 0.248503 S\n0.922924 0.472183 0.162816 S\n0.207015 0.945989 0.881122 S\n0.686938 0.944064 0.506163 S\n0.577075 0.972183 0.837184 S\n0.792985 0.054011 0.118878 S\n0.077076 0.527818 0.837184 S\n0.648793 0.195832 0.650509 S\n0.572900 0.672507 0.593759 S\n0.313062 0.055936 0.493837 S\n0.927100 0.172507 0.406240 S\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Tl",
"Bi",
"P",
"S"
],
"chemical_system": "Bi-P-S-Tl",
"density": 4.290202407429409,
"density_atomic": 0.04061331070316869,
"volume": 1083.3886535767467,
"volume_molar": 14.827997658241015,
"formula_full": "Tl4 Bi4 P8 S28",
"formula_reduced": "TlBiP2S7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.108026172727273,
"spacegroup": 14
},
{
"id": "jvasp-99500",
"created_at": "2022-09-04T14:36:33.881318Z",
"updated_at": "2022-09-04T14:36:33.881336Z",
"structure_string": "Tl4 Br3 Cl1\n1.0\n3.948587 -0.000000 0.000000\n0.000000 3.948587 0.000000\n-0.000000 -0.000000 15.793595\nTl Br Cl\n4 3 1\ndirect\n0.000000 0.000000 0.881820 Tl\n0.000000 0.000000 0.118180 Tl\n0.000000 0.000000 0.372858 Tl\n0.000000 0.000000 0.627142 Tl\n0.500000 0.500000 0.245603 Br\n0.500000 0.500000 0.500000 Br\n0.500000 0.500000 0.754397 Br\n0.500000 0.500000 -0.000000 Cl\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Tl",
"Br",
"Cl"
],
"chemical_system": "Br-Cl-Tl",
"density": 7.368598703825519,
"density_atomic": 0.03248819380409031,
"volume": 246.24329835759565,
"volume_molar": 18.53639754895147,
"formula_full": "Tl4 Br3 Cl1",
"formula_reduced": "Tl4Br3Cl",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.0,
"spacegroup": 123
}
]
}