Cs2Tl5Sn3
Alexandria ALEXAlex-ID: agm003346089 · Space group: Ibam (#72)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C5_62_spg72
Cs4Sn23 Tl CsSn
2022-02-02 13:55:08.967098
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003346089).
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 agm003346089
data_agm003346089
_cell_length_a 7.62046
_cell_length_b 10.64970
_cell_length_c 10.64970
_cell_angle_alpha 71.10856
_cell_angle_beta 69.03619
_cell_angle_gamma 69.03619
_cell_volume 734.41151
_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 0.12718 0.62574 0.11990 1.00000
Cs2 Cs 0.62718 0.11990 0.62574 1.00000
Cs3 Cs 0.87282 0.37426 0.88010 1.00000
Cs4 Cs 0.37282 0.88010 0.37426 1.00000
Tl1 Tl 0.38043 0.24577 0.99337 1.00000
Tl2 Tl 0.88043 0.99337 0.24577 1.00000
Tl3 Tl 0.61957 0.75423 0.00663 1.00000
Tl4 Tl 0.11957 0.00663 0.75423 1.00000
Tl5 Tl 0.50618 0.74382 0.74382 1.00000
Tl6 Tl 0.49382 0.25618 0.25618 1.00000
Tl7 Tl 0.75000 0.50000 0.50000 1.00000
Tl8 Tl 0.25000 0.50000 0.50000 1.00000
Tl9 Tl 0.99382 0.25618 0.25618 1.00000
Tl10 Tl 0.00618 0.74382 0.74382 1.00000
Sn1 Sn 0.37932 0.49141 0.74995 1.00000
Sn2 Sn 0.87932 0.74995 0.49141 1.00000
Sn3 Sn 0.62068 0.50859 0.25005 1.00000
Sn4 Sn 0.12068 0.25005 0.50859 1.00000
Sn5 Sn 0.25000 0.00000 0.00000 1.00000
Sn6 Sn 0.75000 0.00000 0.00000 1.00000
