Cs2KRb4
Alexandria ALEXAlex-ID: agm017246670 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_429_spg2
Cs6K7 Cs Rb
2025-05-02 14:01:19
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017246670).
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 agm017246670
data_agm017246670
_cell_length_a 12.77404
_cell_length_b 12.77404
_cell_length_c 12.17293
_cell_angle_alpha 62.99638
_cell_angle_beta 117.00362
_cell_angle_gamma 157.58792
_cell_volume 671.30699
_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 0.78833 0.21167 0.35675 1.00000
Cs2 Cs 0.21167 0.78833 0.64325 1.00000
K1 K 0.00000 0.00000 0.50000 1.00000
Rb1 Rb 0.56107 0.43893 0.22553 1.00000
Rb2 Rb 0.43893 0.56107 0.77447 1.00000
Rb3 Rb 0.85940 0.14060 0.04473 1.00000
Rb4 Rb 0.14060 0.85940 0.95527 1.00000
Get direct link