Cs5(Tl2Pt)2
Alexandria ALEXAlex-ID: agm005674326 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_178_spg71
Cs2Tl2Pt Cs2Pt3 CsTl
2023-06-21 12:30:42.101710
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005674326).
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 agm005674326
data_agm005674326
_cell_length_a 4.27616
_cell_length_b 10.62026
_cell_length_c 12.49020
_cell_angle_alpha 115.20166
_cell_angle_beta 99.85399
_cell_angle_gamma 89.99820
_cell_volume 503.97479
_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
Cs1 Cs 0.84402 0.05958 0.68803 1.00000
Cs2 Cs 0.15598 0.94042 0.31197 1.00000
Cs3 Cs 0.84398 0.62840 0.68798 1.00000
Cs4 Cs 0.50000 0.00000 0.00000 1.00000
Cs5 Cs 0.15602 0.37160 0.31202 1.00000
Tl1 Tl 0.31569 0.31570 0.63138 1.00000
Tl2 Tl 0.00004 0.34794 0.00012 1.00000
Tl3 Tl 0.68431 0.68430 0.36862 1.00000
Tl4 Tl 0.99996 0.65206 0.99988 1.00000
Pt1 Pt 0.43791 0.43775 0.87584 1.00000
Pt2 Pt 0.56209 0.56225 0.12416 1.00000
Get direct link