Cs5(K2Cd)2
Alexandria ALEXAlex-ID: agm005674394 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_918_spg12
Cs6K7 K2Cd3 Cs
2023-06-24 07:53:17.396531
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005674394).
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 agm005674394
data_agm005674394
_cell_length_a 4.93514
_cell_length_b 11.50442
_cell_length_c 15.55584
_cell_angle_alpha 85.14291
_cell_angle_beta 99.12718
_cell_angle_gamma 89.99998
_cell_volume 868.80334
_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 0.80950 0.10170 0.61901 1.00000
Cs2 Cs 0.19050 0.89830 0.38099 1.00000
Cs3 Cs 0.90166 0.73917 0.80331 1.00000
Cs4 Cs 0.50000 0.00000 0.00000 1.00000
Cs5 Cs 0.09834 0.26083 0.19669 1.00000
K1 K 0.30919 0.48931 0.61838 1.00000
K2 K 0.93927 0.35081 0.87855 1.00000
K3 K 0.69081 0.51069 0.38162 1.00000
K4 K 0.06073 0.64919 0.12145 1.00000
Cd1 Cd 0.22414 0.26552 0.44827 1.00000
Cd2 Cd 0.77586 0.73448 0.55173 1.00000
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