Cs5(K3Na)2
Alexandria ALEXAlex-ID: agm005656787 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C6_78_spg166
Cs6K7 KNa2 Cs
2023-06-20 06:07:16.505615
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005656787).
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 agm005656787
data_agm005656787
_cell_length_a 12.38022
_cell_length_b 12.38022
_cell_length_c 12.78993
_cell_angle_alpha 61.05413
_cell_angle_beta 61.05413
_cell_angle_gamma 60.00000
_cell_volume 1407.82455
_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 0.58547 0.58547 0.24358 1.00000
Cs2 Cs 0.41453 0.41453 0.75642 1.00000
Cs3 Cs 0.73528 0.73528 0.79415 1.00000
Cs4 Cs 0.26472 0.26472 0.20585 1.00000
Cs5 Cs 0.00000 0.00000 0.00000 1.00000
K1 K 0.83764 0.50000 0.50000 1.00000
K2 K 0.50000 0.16236 0.50000 1.00000
K3 K 0.16236 0.83764 0.50000 1.00000
K4 K 0.16236 0.50000 0.50000 1.00000
K5 K 0.50000 0.83764 0.50000 1.00000
K6 K 0.83764 0.16236 0.50000 1.00000
Na1 Na 0.86673 0.86673 0.39980 1.00000
Na2 Na 0.13327 0.13327 0.60020 1.00000
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