K2RbCu2F7
Alexandria ALEXAlex-ID: agm004592007 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D7_13_spg12
Rb2CuF4 K4Cu3F10
2022-06-25 11:01:29.291119
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004592007).
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 agm004592007
data_agm004592007
_cell_length_a 4.12839
_cell_length_b 4.12839
_cell_length_c 11.04862
_cell_angle_alpha 79.27284
_cell_angle_beta 79.27284
_cell_angle_gamma 89.99632
_cell_volume 181.66798
_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 0.81611 0.81611 0.36929 1.00000
K2 K 0.18389 0.18389 0.63071 1.00000
Rb1 Rb 0.00000 0.00000 0.00000 1.00000
Cu1 Cu 0.59717 0.59717 0.80546 1.00000
Cu2 Cu 0.40283 0.40283 0.19454 1.00000
F1 F 0.50000 0.50000 0.00000 1.00000
F2 F 0.30939 0.30939 0.38291 1.00000
F3 F 0.69061 0.69061 0.61709 1.00000
F4 F 0.90266 0.40280 0.19539 1.00000
F5 F 0.40280 0.90266 0.19539 1.00000
F6 F 0.59720 0.09734 0.80461 1.00000
F7 F 0.09734 0.59720 0.80461 1.00000
Get direct link