K3Tl4AgCl8
Alexandria ALEXAlex-ID: agm004734643 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D8_65_spg12
KTl3Cl4 K3TlCl4 Tl2AgCl3
2022-07-05 08:12:39.862814
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004734643).
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 agm004734643
data_agm004734643
_cell_length_a 8.86586
_cell_length_b 8.99219
_cell_length_c 8.95173
_cell_angle_alpha 119.57514
_cell_angle_beta 119.68319
_cell_angle_gamma 90.00000
_cell_volume 510.24031
_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
K1 K 0.50000 0.50000 0.00000 1.00000
K2 K 0.50000 0.50000 0.50000 1.00000
K3 K 0.00000 0.50000 0.50000 1.00000
Tl1 Tl 0.50000 0.00000 0.00000 1.00000
Tl2 Tl 0.50000 0.00000 0.50000 1.00000
Tl3 Tl 0.00000 0.00000 0.00000 1.00000
Tl4 Tl 0.00000 0.00000 0.50000 1.00000
Ag1 Ag 0.00000 0.50000 0.00000 1.00000
Cl1 Cl 0.22590 0.72076 0.99457 1.00000
Cl2 Cl 0.25246 0.74608 0.50492 1.00000
Cl3 Cl 0.25337 0.26013 0.50675 1.00000
Cl4 Cl 0.76867 0.72076 0.99457 1.00000
Cl5 Cl 0.23133 0.27924 0.00543 1.00000
Cl6 Cl 0.74663 0.73987 0.49325 1.00000
Cl7 Cl 0.74754 0.25392 0.49508 1.00000
Cl8 Cl 0.77410 0.27924 0.00543 1.00000
Get direct link