K2RbZnF5
Alexandria ALEXAlex-ID: agm005146189 · Space group: I4/mcm (#140)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_41_spg140
K2ZnF4 Rb2ZnF4 KF
2023-01-20 13:15:07.849924
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005146189).
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 agm005146189
data_agm005146189
_cell_length_a 7.38696
_cell_length_b 7.38700
_cell_length_c 8.05454
_cell_angle_alpha 117.29647
_cell_angle_beta 117.29597
_cell_angle_gamma 89.99879
_cell_volume 334.55153
_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 0.17857 0.32146 0.00000 1.00000
K2 K 0.67855 0.17857 0.00001 1.00000
K3 K 0.32145 0.82143 0.99999 1.00000
K4 K 0.82143 0.67854 1.00000 1.00000
Rb1 Rb 0.24999 0.25001 0.50000 1.00000
Rb2 Rb 0.75001 0.74999 0.50000 1.00000
Zn1 Zn 0.25000 0.75000 0.50001 1.00000
Zn2 Zn 0.75000 0.25000 0.49999 1.00000
F1 F 0.00839 0.50842 0.29950 1.00000
F2 F 0.70926 0.20929 0.70087 1.00000
F3 F 0.99161 0.49158 0.70050 1.00000
F4 F 0.20916 0.99167 0.70069 1.00000
F5 F 0.49164 0.70913 0.70069 1.00000
F6 F 0.79084 0.00833 0.29931 1.00000
F7 F 0.50836 0.29087 0.29931 1.00000
F8 F 0.29074 0.79071 0.29913 1.00000
F9 F 0.50000 0.50000 0.00000 1.00000
F10 F 0.00000 0.00000 0.00000 1.00000
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