H2RhF6
Alexandria ALEXAlex-ID: agm007288048 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1313_spg15
RhF4 HF
2024-05-27 13:58:30.226237
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007288048).
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 agm007288048
data_agm007288048
_cell_length_a 6.94234
_cell_length_b 6.94234
_cell_length_c 6.24281
_cell_angle_alpha 84.11181
_cell_angle_beta 84.11181
_cell_angle_gamma 98.54439
_cell_volume 293.83896
_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
H1 H 0.33889 0.06273 0.27189 1.00000
H2 H 0.93727 0.66111 0.22811 1.00000
H3 H 0.66111 0.93727 0.72811 1.00000
H4 H 0.06273 0.33889 0.77189 1.00000
Rh1 Rh 0.49731 0.50269 0.25000 1.00000
Rh2 Rh 0.50269 0.49731 0.75000 1.00000
F1 F 0.71242 0.71439 0.19926 1.00000
F2 F 0.28561 0.28758 0.30074 1.00000
F3 F 0.28758 0.28561 0.80074 1.00000
F4 F 0.71439 0.71242 0.69926 1.00000
F5 F 0.95292 0.40187 0.74644 1.00000
F6 F 0.59813 0.04708 0.75356 1.00000
F7 F 0.04708 0.59813 0.25356 1.00000
F8 F 0.40187 0.95292 0.24644 1.00000
F9 F 0.37978 0.61788 0.50648 1.00000
F10 F 0.38212 0.62022 0.99352 1.00000
F11 F 0.62022 0.38212 0.49352 1.00000
F12 F 0.61788 0.37978 0.00648 1.00000
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