Tl2AgAu9
Alexandria ALEXAlex-ID: agm101199723 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C9_576_spg1
AgAu6 Au TlAu
2025-05-18 10:45:48
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm101199723).
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 agm101199723
data_agm101199723
_cell_length_a 3.02541
_cell_length_b 9.16015
_cell_length_c 9.15697
_cell_angle_alpha 101.75559
_cell_angle_beta 90.13586
_cell_angle_gamma 89.84798
_cell_volume 248.44497
_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 0.05076 0.63492 0.23332 1.00000
Tl2 Tl 0.96602 0.23272 0.63500 1.00000
Ag1 Ag 0.99834 0.08637 0.08615 1.00000
Au1 Au 0.49753 0.98116 0.31828 1.00000
Au2 Au 0.99923 0.54016 0.88327 1.00000
Au3 Au 0.99768 0.49804 0.49838 1.00000
Au4 Au 0.49905 0.31802 0.98037 1.00000
Au5 Au 0.49616 0.01728 0.80999 1.00000
Au6 Au 0.49799 0.29577 0.29529 1.00000
Au7 Au 0.50207 0.81027 0.01761 1.00000
Au8 Au 0.99711 0.88282 0.53981 1.00000
Au9 Au 0.49806 0.70247 0.70252 1.00000
Get direct link