K2CuRhF8
Alexandria ALEXAlex-ID: agm078040179 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_2385_spg14
K2RhF6 CuF2
2025-03-04 21:22:18
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm078040179).
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 agm078040179
data_agm078040179
_cell_length_a 6.63183
_cell_length_b 5.82336
_cell_length_c 11.47285
_cell_angle_alpha 90.00000
_cell_angle_beta 88.16250
_cell_angle_gamma 90.00000
_cell_volume 442.84761
_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 0.75436 0.46198 0.31409 1.00000
K2 K 0.24564 0.53802 0.68591 1.00000
K3 K 0.75436 0.03802 0.81409 1.00000
K4 K 0.24564 0.96198 0.18591 1.00000
Cu1 Cu 0.00000 0.00000 0.50000 1.00000
Cu2 Cu 0.00000 0.50000 0.00000 1.00000
Rh1 Rh 0.50000 0.00000 0.50000 1.00000
Rh2 Rh 0.50000 0.50000 0.00000 1.00000
F1 F 0.50828 0.10473 0.33901 1.00000
F2 F 0.49172 0.89527 0.66099 1.00000
F3 F 0.68258 0.24674 0.54191 1.00000
F4 F 0.31742 0.75326 0.45809 1.00000
F5 F 0.31742 0.74674 0.95809 1.00000
F6 F 0.68258 0.25326 0.04191 1.00000
F7 F 0.49172 0.60473 0.16099 1.00000
F8 F 0.50828 0.39527 0.83901 1.00000
F9 F 0.74972 0.81803 0.46854 1.00000
F10 F 0.25028 0.18197 0.53146 1.00000
F11 F 0.74972 0.68197 0.96854 1.00000
F12 F 0.25028 0.31803 0.03146 1.00000
F13 F 0.99921 0.61293 0.14860 1.00000
F14 F 0.00079 0.38707 0.85140 1.00000
F15 F 0.99921 0.88707 0.64860 1.00000
F16 F 0.00079 0.11293 0.35140 1.00000
