TlCuAgCl5
Alexandria ALEXAlex-ID: agm005067494 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD5_189_spg15
Tl5(AgCl4)3 Tl2Ag4Cl9 CuCl2
2022-07-12 15:03:07.242041
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005067494).
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 agm005067494
data_agm005067494
_cell_length_a 7.59218
_cell_length_b 7.59218
_cell_length_c 9.26840
_cell_angle_alpha 101.47716
_cell_angle_beta 101.47716
_cell_angle_gamma 117.48887
_cell_volume 437.69138
_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 0.31630 0.68370 0.25000 1.00000
Tl2 Tl 0.68370 0.31630 0.75000 1.00000
Cu1 Cu 0.65855 0.34145 0.25000 1.00000
Cu2 Cu 0.34145 0.65855 0.75000 1.00000
Ag1 Ag 0.00000 0.00000 0.50000 1.00000
Ag2 Ag 0.00000 0.00000 0.00000 1.00000
Cl1 Cl 0.07025 0.92975 0.25000 1.00000
Cl2 Cl 0.92975 0.07025 0.75000 1.00000
Cl3 Cl 0.83594 0.29694 0.09355 1.00000
Cl4 Cl 0.16406 0.70306 0.90645 1.00000
Cl5 Cl 0.70306 0.16406 0.40645 1.00000
Cl6 Cl 0.29694 0.83594 0.59355 1.00000
Cl7 Cl 0.71064 0.62565 0.43000 1.00000
Cl8 Cl 0.28936 0.37435 0.57000 1.00000
Cl9 Cl 0.37435 0.28936 0.07000 1.00000
Cl10 Cl 0.62565 0.71064 0.93000 1.00000
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