Cs2K4RbNa2
Alexandria ALEXAlex-ID: agm004569441 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D4_293_spg2
Cs6K7 KNa2 CsK2 Rb
2022-06-19 17:08:20.076095
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004569441).
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
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# CIF generated by HEAS from Alexandria entry agm004569441
data_agm004569441
_cell_length_a 8.00422
_cell_length_b 10.94065
_cell_length_c 9.18708
_cell_angle_alpha 113.58847
_cell_angle_beta 111.62789
_cell_angle_gamma 86.22490
_cell_volume 682.23825
_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 0.24452 0.83745 0.48304 1.00000
Cs2 Cs 0.75548 0.16255 0.51696 1.00000
K1 K 0.59137 0.71921 0.00781 1.00000
K2 K 0.74216 0.60907 0.48430 1.00000
K3 K 0.40863 0.28079 0.99219 1.00000
K4 K 0.25784 0.39093 0.51570 1.00000
Rb1 Rb 0.00000 0.00000 0.00000 1.00000
Na1 Na 0.91237 0.41389 0.08179 1.00000
Na2 Na 0.08763 0.58611 0.91821 1.00000
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