Tl4SnAu5
Alexandria ALEXAlex-ID: agm006124369 · Space group: I4mm (#107)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_159_spg107
TlSnAu2 TlAu
2023-10-18 06:27:21
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006124369).
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
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# CIF generated by HEAS from Alexandria entry agm006124369
data_agm006124369
_cell_length_a 5.27226
_cell_length_b 7.30752
_cell_length_c 7.30754
_cell_angle_alpha 82.52259
_cell_angle_beta 68.85404
_cell_angle_gamma 68.85441
_cell_volume 244.90075
_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 0.82698 0.68615 0.68677 1.00000
Tl2 Tl 0.51375 0.31323 0.68615 1.00000
Tl3 Tl 0.51312 0.68677 0.31385 1.00000
Tl4 Tl 0.19990 0.31385 0.31323 1.00000
Sn1 Sn 0.84865 0.00000 1.00000 1.00000
Au1 Au 0.25229 0.61494 0.99937 1.00000
Au2 Au 0.25166 0.00063 0.61494 1.00000
Au3 Au 0.86723 0.99937 0.38506 1.00000
Au4 Au 0.86660 0.38506 0.00063 1.00000
Au5 Au 0.34952 0.00000 1.00000 1.00000
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