FeH6Rh
Alexandria ALEXAlex-ID: agm071098541 · Space group: P4_332 (#212)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_1361_spg212
FeH H8Rh3 H2
2024-08-06 21:35:55.294839
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071098541).
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 agm071098541
data_agm071098541
_cell_length_a 7.28837
_cell_length_b 7.28837
_cell_length_c 7.28837
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 387.16016
_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
Fe1 Fe 0.62500 0.62500 0.62500 1.00000
Fe2 Fe 0.87500 0.37500 0.12500 1.00000
Fe3 Fe 0.37500 0.12500 0.87500 1.00000
Fe4 Fe 0.12500 0.87500 0.37500 1.00000
H1 H 0.73923 0.78089 0.48316 1.00000
H2 H 0.76077 0.21911 0.98316 1.00000
H3 H 0.26077 0.28089 0.01684 1.00000
H4 H 0.23923 0.71911 0.51684 1.00000
H5 H 0.48316 0.73923 0.78089 1.00000
H6 H 0.98316 0.76077 0.21911 1.00000
H7 H 0.01684 0.26077 0.28089 1.00000
H8 H 0.51684 0.23923 0.71911 1.00000
H9 H 0.78089 0.48316 0.73923 1.00000
H10 H 0.21911 0.98316 0.76077 1.00000
H11 H 0.28089 0.01684 0.26077 1.00000
H12 H 0.71911 0.51684 0.23923 1.00000
H13 H 0.03089 0.48923 0.26684 1.00000
H14 H 0.46911 0.51077 0.76684 1.00000
H15 H 0.53089 0.01077 0.73316 1.00000
H16 H 0.96911 0.98923 0.23316 1.00000
H17 H 0.98923 0.23316 0.96911 1.00000
H18 H 0.01077 0.73316 0.53089 1.00000
H19 H 0.51077 0.76684 0.46911 1.00000
H20 H 0.48923 0.26684 0.03089 1.00000
H21 H 0.73316 0.53089 0.01077 1.00000
H22 H 0.23316 0.96911 0.98923 1.00000
H23 H 0.26684 0.03089 0.48923 1.00000
H24 H 0.76684 0.46911 0.51077 1.00000
Rh1 Rh 0.12500 0.12500 0.12500 1.00000
Rh2 Rh 0.37500 0.87500 0.62500 1.00000
Rh3 Rh 0.87500 0.62500 0.37500 1.00000
Rh4 Rh 0.62500 0.37500 0.87500 1.00000
