K4Rb3
Alexandria ALEXAlex-ID: agm096941844 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4_38_spg12
Rb K
2025-04-18 03:05:38
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm096941844).
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 agm096941844
data_agm096941844
_cell_length_a 4.96182
_cell_length_b 8.48903
_cell_length_c 13.79996
_cell_angle_alpha 91.42838
_cell_angle_beta 90.27616
_cell_angle_gamma 73.60675
_cell_volume 557.46344
_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 0.21721 0.06603 0.64071 1.00000
K2 K 0.78279 0.93397 0.35929 1.00000
K3 K 0.35036 0.80145 0.08017 1.00000
K4 K 0.64964 0.19855 0.91983 1.00000
Rb1 Rb 0.06906 0.35938 0.20215 1.00000
Rb2 Rb 0.93094 0.64062 0.79785 1.00000
Rb3 Rb 0.50000 0.50000 0.50000 1.00000
Get direct link