CuRh2F8
Alexandria ALEXAlex-ID: agm005996715 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_139_spg164
RhF3 CuF2
2023-10-15 13:29:50.455494
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005996715).
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 agm005996715
data_agm005996715
_cell_length_a 4.13720
_cell_length_b 6.46209
_cell_length_c 6.46530
_cell_angle_alpha 120.04374
_cell_angle_beta 89.99855
_cell_angle_gamma 90.00407
_cell_volume 149.62616
_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
Rh1 Rh 0.24354 0.33314 0.66665 1.00000
Rh2 Rh 0.75646 0.66686 0.33332 1.00000
Cu1 Cu 0.00000 0.00000 0.99999 1.00000
F1 F 0.25750 0.66685 0.33333 1.00000
F2 F 0.74250 0.33315 0.66665 1.00000
F3 F 0.75703 0.84383 0.15387 1.00000
F4 F 0.24297 0.15412 0.31002 1.00000
F5 F 0.24299 0.69002 0.84388 1.00000
F6 F 0.24297 0.15618 0.84612 1.00000
F7 F 0.75703 0.84587 0.68996 1.00000
F8 F 0.75701 0.30998 0.15612 1.00000
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