Cs4K3Na5
Alexandria ALEXAlex-ID: agm005693628 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C5_53_spg12
Cs6K7 KNa2 Cs
2023-07-01 04:01:02.290485
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005693628).
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 agm005693628
data_agm005693628
_cell_length_a 7.01119
_cell_length_b 9.16553
_cell_length_c 15.13354
_cell_angle_alpha 83.52806
_cell_angle_beta 76.60613
_cell_angle_gamma 67.51287
_cell_volume 873.80239
_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 0.14524 0.71086 0.99865 1.00000
Cs2 Cs 0.14580 0.05198 0.65642 1.00000
Cs3 Cs 0.85420 0.94802 0.34358 1.00000
Cs4 Cs 0.85476 0.28914 0.00135 1.00000
K1 K 0.19806 0.34505 0.25882 1.00000
K2 K 0.50000 0.50000 0.50000 1.00000
K3 K 0.80194 0.65495 0.74118 1.00000
Na1 Na 0.53830 0.04001 0.88338 1.00000
Na2 Na 0.00000 0.50000 0.50000 1.00000
Na3 Na 0.57704 0.60659 0.23933 1.00000
Na4 Na 0.42296 0.39341 0.76067 1.00000
Na5 Na 0.46170 0.95999 0.11662 1.00000
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