Cs5(TlCd)2
Alexandria ALEXAlex-ID: agm009753572 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_491_spg2
Cs3Cd2 CsTl
2024-04-12 01:34:10.091944
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009753572).
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 agm009753572
data_agm009753572
_cell_length_a 11.11876
_cell_length_b 11.11876
_cell_length_c 8.43457
_cell_angle_alpha 80.94507
_cell_angle_beta 80.94507
_cell_angle_gamma 31.82423
_cell_volume 542.43844
_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 0.40417 0.40417 0.38550 1.00000
Cs2 Cs 0.59583 0.59583 0.61450 1.00000
Cs3 Cs 0.20909 0.20909 0.15965 1.00000
Cs4 Cs 0.79091 0.79091 0.84035 1.00000
Cs5 Cs 0.00000 0.00000 0.00000 1.00000
Tl1 Tl 0.23132 0.23132 0.60093 1.00000
Tl2 Tl 0.76868 0.76868 0.39907 1.00000
Cd1 Cd 0.40047 0.40047 0.87518 1.00000
Cd2 Cd 0.59953 0.59953 0.12482 1.00000
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