Cs5K5Cd2
Alexandria ALEXAlex-ID: agm005651302 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_18_spg12
Cs6K7 K2Cd3 Cs
2023-06-19 01:31:36.890262
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005651302).
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 agm005651302
data_agm005651302
_cell_length_a 6.42062
_cell_length_b 13.12120
_cell_length_c 11.57539
_cell_angle_alpha 75.93065
_cell_angle_beta 73.89854
_cell_angle_gamma 75.83789
_cell_volume 892.23420
_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 0.50000 0.50000 0.50000 1.00000
Cs2 Cs 0.35496 0.35732 0.93277 1.00000
Cs3 Cs 0.33631 0.01026 0.31711 1.00000
Cs4 Cs 0.66369 0.98974 0.68289 1.00000
Cs5 Cs 0.64504 0.64268 0.06723 1.00000
K1 K 0.94329 0.72727 0.38615 1.00000
K2 K 0.26525 0.72588 0.74362 1.00000
K3 K 0.73475 0.27412 0.25638 1.00000
K4 K 0.05671 0.27273 0.61385 1.00000
K5 K 0.00000 0.00000 0.00000 1.00000
Cd1 Cd 0.86052 0.55796 0.72101 1.00000
Cd2 Cd 0.13948 0.44204 0.27899 1.00000
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