K2RbCuF8
Alexandria ALEXAlex-ID: agm004909902 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_311_spg2
K3CuF6 K2CuF6 Rb2CuF6 RbF3
2022-12-20 07:15:27.023886
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004909902).
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 agm004909902
data_agm004909902
_cell_length_a 5.53992
_cell_length_b 4.98059
_cell_length_c 7.70354
_cell_angle_alpha 74.34609
_cell_angle_beta 90.35217
_cell_angle_gamma 90.83877
_cell_volume 204.65019
_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 0.50344 0.37548 0.79578 1.00000
K2 K 0.49656 0.62452 0.20422 1.00000
Rb1 Rb 0.00000 0.00000 0.50000 1.00000
Cu1 Cu 0.00000 0.00000 0.00000 1.00000
F1 F 0.99803 0.69110 0.21551 1.00000
F2 F 0.76029 0.83927 0.89437 1.00000
F3 F 0.76695 0.15922 0.10547 1.00000
F4 F 0.00197 0.30890 0.78449 1.00000
F5 F 0.23971 0.16073 0.10563 1.00000
F6 F 0.23305 0.84078 0.89453 1.00000
F7 F 0.49683 0.79962 0.50386 1.00000
F8 F 0.50317 0.20038 0.49614 1.00000
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