Tl5Sb5Au2
Alexandria ALEXAlex-ID: agm005652298 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_18_spg12
TlSb2Au Tl2Sb TlSbAu
2023-06-19 09:18:18.199202
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005652298).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm005652298
data_agm005652298
_cell_length_a 5.08020
_cell_length_b 7.69228
_cell_length_c 10.25915
_cell_angle_alpha 77.30882
_cell_angle_beta 75.66400
_cell_angle_gamma 70.71903
_cell_volume 362.44519
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Tl1 Tl 0.50000 0.50000 0.50000 1.00000
Tl2 Tl 0.37323 0.31677 0.93678 1.00000
Tl3 Tl 0.31875 0.96724 0.39525 1.00000
Tl4 Tl 0.68125 0.03276 0.60475 1.00000
Tl5 Tl 0.62677 0.68323 0.06322 1.00000
Sb1 Sb 0.98206 0.75125 0.28461 1.00000
Sb2 Sb 0.23216 0.77512 0.76056 1.00000
Sb3 Sb 0.76784 0.22488 0.23944 1.00000
Sb4 Sb 0.01794 0.24875 0.71539 1.00000
Sb5 Sb 0.00000 0.00000 0.00000 1.00000
Au1 Au 0.80991 0.61507 0.76510 1.00000
Au2 Au 0.19009 0.38493 0.23490 1.00000
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