K2Rb3Cl4
Alexandria ALEXAlex-ID: agm005689725 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_761_spg12
RbCl Rb KCl
2023-06-26 21:01:08.756194
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005689725).
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 agm005689725
data_agm005689725
_cell_length_a 4.66426
_cell_length_b 8.25235
_cell_length_c 10.38650
_cell_angle_alpha 76.42549
_cell_angle_beta 77.02448
_cell_angle_gamma 73.58444
_cell_volume 367.37444
_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
K1 K 0.60697 0.17768 0.60839 1.00000
K2 K 0.39303 0.82232 0.39161 1.00000
Rb1 Rb 0.00000 0.00000 0.00000 1.00000
Rb2 Rb 0.19569 0.40316 0.20547 1.00000
Rb3 Rb 0.80431 0.59684 0.79453 1.00000
Cl1 Cl 0.79789 0.09557 0.30866 1.00000
Cl2 Cl 0.20211 0.90443 0.69134 1.00000
Cl3 Cl 0.40303 0.29630 0.89764 1.00000
Cl4 Cl 0.59697 0.70370 0.10236 1.00000
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