TlSnAu
Alexandria ALEXAlex-ID: agm003147136 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_8_spg63
SnAu Tl
2015-04-30 22:33:42
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003147136).
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 agm003147136
data_agm003147136
_cell_length_a 4.42240
_cell_length_b 6.78209
_cell_length_c 8.85618
_cell_angle_alpha 126.45026
_cell_angle_beta 104.22149
_cell_angle_gamma 109.42682
_cell_volume 163.51399
_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 0.80740 0.27628 0.84245 1.00000
Tl2 Tl 0.71773 0.60968 0.33761 1.00000
Au1 Au 0.26275 0.44292 0.59009 1.00000
Au2 Au 0.76265 0.94281 0.08999 1.00000
Sn1 Sn 0.43005 0.02932 0.34135 1.00000
Sn2 Sn 0.09544 0.85659 0.83874 1.00000
Get direct link