TlAg2PbCl8
Alexandria ALEXAlex-ID: agm004898103 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_299_spg10
AgCl2 TlCl3 Ag3Cl4 PbCl2
2023-01-08 10:41:35.465128
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004898103).
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 agm004898103
data_agm004898103
_cell_length_a 6.74606
_cell_length_b 6.45884
_cell_length_c 8.05694
_cell_angle_alpha 89.99462
_cell_angle_beta 89.99950
_cell_angle_gamma 95.42794
_cell_volume 349.48018
_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 0.00000 0.00000 0.00000 1.00000
Ag1 Ag 0.50001 0.50000 0.75170 1.00000
Ag2 Ag 0.49999 0.50000 0.24830 1.00000
Pb1 Pb 0.00000 0.00000 0.50000 1.00000
Cl1 Cl 0.16382 0.78381 0.22727 1.00000
Cl2 Cl 0.66496 0.70951 0.99999 1.00000
Cl3 Cl 0.83617 0.21617 0.22724 1.00000
Cl4 Cl 0.83618 0.21619 0.77273 1.00000
Cl5 Cl 0.33504 0.29049 0.00001 1.00000
Cl6 Cl 0.16383 0.78383 0.77276 1.00000
Cl7 Cl 0.65302 0.70595 0.49998 1.00000
Cl8 Cl 0.34698 0.29405 0.50002 1.00000
Get direct link