Fe2H7Rh2
Alexandria ALEXAlex-ID: agm006348680 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C7_318_spg12
FeH3Rh2 FeH H8Rh3
2024-02-24 17:02:59
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006348680).
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 agm006348680
data_agm006348680
_cell_length_a 2.95951
_cell_length_b 5.89352
_cell_length_c 5.35122
_cell_angle_alpha 126.41052
_cell_angle_beta 95.77685
_cell_angle_gamma 86.73837
_cell_volume 74.73306
_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 0.27125 0.48885 0.23897 1.00000
Fe2 Fe 0.72875 0.51115 0.76103 1.00000
H1 H 0.74981 0.37293 0.99940 1.00000
H2 H 0.22122 0.37922 0.49400 1.00000
H3 H 0.25019 0.62707 0.00060 1.00000
H4 H 0.77878 0.62078 0.50600 1.00000
H5 H 0.50000 0.00000 0.00000 1.00000
H6 H 0.27760 0.87546 0.49963 1.00000
H7 H 0.72240 0.12454 0.50037 1.00000
Rh1 Rh 0.19904 0.00335 0.25467 1.00000
Rh2 Rh 0.80096 0.99665 0.74533 1.00000
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