K2Rb
Alexandria ALEXAlex-ID: agm077686898 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_767_spg63
Rb K
2025-01-09 15:51:58
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm077686898).
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 agm077686898
data_agm077686898
_cell_length_a 6.78716
_cell_length_b 6.81623
_cell_length_c 20.22061
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 935.46228
_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 0.75000 0.74574 0.83644 1.00000
K2 K 0.25000 0.25426 0.16356 1.00000
K3 K 0.25000 0.75426 0.33644 1.00000
K4 K 0.75000 0.24574 0.66356 1.00000
K5 K 0.75000 0.75022 0.49971 1.00000
K6 K 0.25000 0.24978 0.50029 1.00000
K7 K 0.25000 0.74978 0.99971 1.00000
K8 K 0.75000 0.25022 0.00029 1.00000
Rb1 Rb 0.25000 0.74584 0.66421 1.00000
Rb2 Rb 0.75000 0.25416 0.33579 1.00000
Rb3 Rb 0.75000 0.75416 0.16421 1.00000
Rb4 Rb 0.25000 0.24584 0.83579 1.00000
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