Cs3K3Rb4
Alexandria ALEXAlex-ID: agm005681630 · Space group: Amm2 (#38)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C4_22_spg38
Cs6K7 Cs Rb
2023-06-29 09:01:11.540386
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005681630).
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 agm005681630
data_agm005681630
_cell_length_a 5.15211
_cell_length_b 13.50330
_cell_length_c 13.50330
_cell_angle_alpha 91.02395
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 939.28028
_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 0.00000 0.50088 0.00402 1.00000
Cs2 Cs 0.00000 0.99598 0.49912 1.00000
Cs3 Cs 0.50000 0.16716 0.83284 1.00000
K1 K 0.50000 0.82995 0.17005 1.00000
K2 K 0.50000 0.33953 0.32490 1.00000
K3 K 0.50000 0.67510 0.66047 1.00000
Rb1 Rb 0.00000 0.63385 0.36615 1.00000
Rb2 Rb 0.00000 0.38387 0.61613 1.00000
Rb3 Rb 0.00000 0.85304 0.87937 1.00000
Rb4 Rb 0.00000 0.12063 0.14696 1.00000
Get direct link