Tl6CdSb
Alexandria ALEXAlex-ID: agm005759998 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_270_spg12
TlCdSb Tl
2023-07-24 17:37:11.542580
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005759998).
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 agm005759998
data_agm005759998
_cell_length_a 6.47450
_cell_length_b 6.93211
_cell_length_c 6.93211
_cell_angle_alpha 69.23038
_cell_angle_beta 71.86065
_cell_angle_gamma 108.13935
_cell_volume 243.32770
_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 0.24767 0.50258 0.00000 1.00000
Tl2 Tl 0.74509 0.49742 0.50258 1.00000
Tl3 Tl 0.75233 0.49742 1.00000 1.00000
Tl4 Tl 0.75233 0.00000 0.50258 1.00000
Tl5 Tl 0.25491 0.50258 0.49742 1.00000
Tl6 Tl 0.24767 0.00000 0.49742 1.00000
Cd1 Cd 0.50000 0.00000 0.00000 1.00000
Sb1 Sb 0.00000 0.00000 0.00000 1.00000
Get direct link