Tl2Ag3Sn5
Alexandria ALEXAlex-ID: agm005608744 · Space group: Ibam (#72)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C5_91_spg72
Ag3Sn Sn Tl17Sn12
2023-06-13 19:42:32.490008
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005608744).
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 agm005608744
data_agm005608744
_cell_length_a 6.46014
_cell_length_b 9.66719
_cell_length_c 9.66719
_cell_angle_alpha 82.98143
_cell_angle_beta 70.48054
_cell_angle_gamma 70.48054
_cell_volume 536.29032
_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 0.14034 0.59472 0.12461 1.00000
Tl2 Tl 0.64034 0.12461 0.59472 1.00000
Tl3 Tl 0.85966 0.40528 0.87539 1.00000
Tl4 Tl 0.35966 0.87539 0.40528 1.00000
Ag1 Ag 0.36453 0.49955 0.77139 1.00000
Ag2 Ag 0.86453 0.77139 0.49955 1.00000
Ag3 Ag 0.63547 0.50045 0.22861 1.00000
Ag4 Ag 0.13547 0.22861 0.50045 1.00000
Ag5 Ag 0.25000 0.00000 0.00000 1.00000
Ag6 Ag 0.75000 0.00000 0.00000 1.00000
Sn1 Sn 0.40000 0.25157 0.94844 1.00000
Sn2 Sn 0.90000 0.94844 0.25157 1.00000
Sn3 Sn 0.60000 0.74843 0.05156 1.00000
Sn4 Sn 0.10000 0.05156 0.74843 1.00000
Sn5 Sn 0.48833 0.76167 0.76167 1.00000
Sn6 Sn 0.51167 0.23833 0.23833 1.00000
Sn7 Sn 0.75000 0.50000 0.50000 1.00000
Sn8 Sn 0.25000 0.50000 0.50000 1.00000
Sn9 Sn 0.01167 0.23833 0.23833 1.00000
Sn10 Sn 0.98833 0.76167 0.76167 1.00000
