CsRhF8
Alexandria ALEXAlex-ID: agm078464580 · Space group: Pnnm (#58)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC8_345_spg58
CsF5 CsRhF6 RhF6
2025-01-09 13:36:40
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm078464580).
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 agm078464580
data_agm078464580
_cell_length_a 6.34868
_cell_length_b 8.29557
_cell_length_c 9.68392
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 510.01219
_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
Cs1 Cs 0.00000 0.00000 0.49950 1.00000
Cs2 Cs 0.50000 0.50000 0.99950 1.00000
Rh1 Rh 0.00000 0.00000 0.99959 1.00000
Rh2 Rh 0.50000 0.50000 0.49959 1.00000
F1 F 0.22915 0.14669 0.99957 1.00000
F2 F 0.77085 0.85331 0.99957 1.00000
F3 F 0.80332 0.17524 0.99965 1.00000
F4 F 0.19668 0.82476 0.99965 1.00000
F5 F 0.69668 0.67524 0.49965 1.00000
F6 F 0.30332 0.32476 0.49965 1.00000
F7 F 0.27085 0.64669 0.49957 1.00000
F8 F 0.72915 0.35331 0.49957 1.00000
F9 F 0.00000 0.00000 0.80354 1.00000
F10 F 0.00000 0.00000 0.19565 1.00000
F11 F 0.50000 0.50000 0.30354 1.00000
F12 F 0.50000 0.50000 0.69565 1.00000
F13 F 0.46201 0.08673 0.50167 1.00000
F14 F 0.53799 0.91327 0.50167 1.00000
F15 F 0.96201 0.41327 0.00167 1.00000
F16 F 0.03799 0.58673 0.00167 1.00000
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