Cs8(KRb)3
Alexandria ALEXAlex-ID: agm005683607 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C8_58_spg12
Cs6K7 Cs Rb
2023-07-01 04:51:58.267120
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005683607).
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 agm005683607
data_agm005683607
_cell_length_a 8.24691
_cell_length_b 13.08715
_cell_length_c 14.32450
_cell_angle_alpha 90.47648
_cell_angle_beta 73.27010
_cell_angle_gamma 71.63456
_cell_volume 1396.80890
_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 0.14258 0.06539 0.64945 1.00000
Cs2 Cs 0.85742 0.93461 0.35055 1.00000
Cs3 Cs 0.85071 0.43405 0.86454 1.00000
Cs4 Cs 0.14929 0.56595 0.13546 1.00000
Cs5 Cs 0.44091 0.69471 0.42348 1.00000
Cs6 Cs 0.55909 0.30529 0.57652 1.00000
Cs7 Cs 0.28144 0.15773 0.27939 1.00000
Cs8 Cs 0.71856 0.84227 0.72061 1.00000
K1 K 0.27334 0.65662 0.79670 1.00000
K2 K 0.72666 0.34338 0.20330 1.00000
K3 K 0.00000 0.00000 0.00000 1.00000
Rb1 Rb 0.00000 0.50000 0.50000 1.00000
Rb2 Rb 0.56350 0.80034 0.07266 1.00000
Rb3 Rb 0.43650 0.19966 0.92734 1.00000
Get direct link