FeH4Rh
Alexandria ALEXAlex-ID: agm007358315 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_2362_spg15
FeH H8Rh3 H2
2024-03-26 03:44:13.246073
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007358315).
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 agm007358315
data_agm007358315
_cell_length_a 4.68674
_cell_length_b 4.69592
_cell_length_c 4.38901
_cell_angle_alpha 70.78708
_cell_angle_beta 72.67566
_cell_angle_gamma 72.43536
_cell_volume 84.82326
_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 0.71623 0.95906 0.16984 1.00000
Fe2 Fe 0.28377 0.04094 0.83016 1.00000
H1 H 0.49361 0.71680 0.10518 1.00000
H2 H 0.02061 0.75809 0.89274 1.00000
H3 H 0.02007 0.73668 0.43229 1.00000
H4 H 0.51566 0.76411 0.56782 1.00000
H5 H 0.48434 0.23589 0.43218 1.00000
H6 H 0.97993 0.26332 0.56771 1.00000
H7 H 0.97939 0.24191 0.10726 1.00000
H8 H 0.50639 0.28320 0.89482 1.00000
Rh1 Rh 0.21352 0.44427 0.20742 1.00000
Rh2 Rh 0.78648 0.55573 0.79258 1.00000
Get direct link