Cs5(TlSn2)2
Alexandria ALEXAlex-ID: agm003364530 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_184_spg12
CsTl2 CsSn
2022-02-05 16:54:59.707809
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003364530).
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 agm003364530
data_agm003364530
_cell_length_a 7.55265
_cell_length_b 9.18645
_cell_length_c 10.67314
_cell_angle_alpha 50.75727
_cell_angle_beta 69.27912
_cell_angle_gamma 65.72758
_cell_volume 518.18588
_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 0.14673 0.29937 0.92396 1.00000
Cs2 Cs 0.85327 0.70063 0.07604 1.00000
Cs3 Cs 0.00000 0.50000 0.50000 1.00000
Cs4 Cs 0.62995 0.29937 0.92396 1.00000
Cs5 Cs 0.37005 0.70063 0.07604 1.00000
Tl1 Tl 0.22216 0.88663 0.66905 1.00000
Tl2 Tl 0.77784 0.11337 0.33095 1.00000
Sn1 Sn 0.39259 0.85117 0.36366 1.00000
Sn2 Sn 0.60741 0.14883 0.63634 1.00000
Sn3 Sn 0.75937 0.77699 0.70428 1.00000
Sn4 Sn 0.24063 0.22301 0.29572 1.00000
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