Rb2NaCu2F7
Alexandria ALEXAlex-ID: agm004592001 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D7_13_spg12
RbCuF3 NaF
2022-06-26 12:00:35.866791
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004592001).
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 agm004592001
data_agm004592001
_cell_length_a 4.10044
_cell_length_b 4.10044
_cell_length_c 11.21538
_cell_angle_alpha 79.46938
_cell_angle_beta 79.46938
_cell_angle_gamma 90.00371
_cell_volume 182.16298
_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
Rb1 Rb 0.81820 0.81820 0.36438 1.00000
Rb2 Rb 0.18180 0.18180 0.63562 1.00000
Na1 Na 0.00000 0.00000 0.00000 1.00000
Cu1 Cu 0.59066 0.59066 0.81840 1.00000
Cu2 Cu 0.40934 0.40934 0.18160 1.00000
F1 F 0.50000 0.50000 0.00000 1.00000
F2 F 0.31548 0.31548 0.36959 1.00000
F3 F 0.68452 0.68452 0.63041 1.00000
F4 F 0.91352 0.41362 0.17343 1.00000
F5 F 0.41362 0.91352 0.17343 1.00000
F6 F 0.58638 0.08648 0.82657 1.00000
F7 F 0.08648 0.58638 0.82657 1.00000
Get direct link