RbAuF5
Alexandria ALEXAlex-ID: agm005753896 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC5_429_spg15
RbAuF6 RbAuF4
2023-07-14 05:16:31.216774
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005753896).
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 agm005753896
data_agm005753896
_cell_length_a 5.95546
_cell_length_b 5.95546
_cell_length_c 8.70241
_cell_angle_alpha 96.12088
_cell_angle_beta 109.24826
_cell_angle_gamma 111.25215
_cell_volume 262.46091
_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 0.74546 0.49546 0.25000 1.00000
Rb2 Rb 0.25454 0.50454 0.75000 1.00000
Au1 Au 1.00000 0.00000 1.00000 1.00000
Au2 Au 0.50000 0.00000 0.50000 1.00000
F1 F 0.76324 0.03768 0.10178 1.00000
F2 F 0.18111 0.85083 0.54356 1.00000
F3 F 0.56410 0.33854 0.60178 1.00000
F4 F 0.26331 0.01331 0.25000 1.00000
F5 F 0.80727 0.63755 0.95644 1.00000
F6 F 0.19273 0.36245 0.04356 1.00000
F7 F 0.73669 0.98669 0.75000 1.00000
F8 F 0.43590 0.66146 0.39822 1.00000
F9 F 0.81889 0.14917 0.45644 1.00000
F10 F 0.23676 0.96232 0.89822 1.00000
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