Fe3H4Rh
Alexandria ALEXAlex-ID: agm006016495 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4_8_spg65
FeH3Rh2 FeH
2023-07-10 09:07:15.656396
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006016495).
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
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# CIF generated by HEAS from Alexandria entry agm006016495
data_agm006016495
_cell_length_a 2.72845
_cell_length_b 4.71136
_cell_length_c 4.71135
_cell_angle_alpha 70.58138
_cell_angle_beta 89.99909
_cell_angle_gamma 89.99910
_cell_volume 57.11780
_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 0.49995 0.00012 0.49997 1.00000
Fe2 Fe 0.99996 0.00011 0.99997 1.00000
Fe3 Fe 0.99996 0.50012 0.49997 1.00000
H1 H 0.99996 0.77123 0.72885 1.00000
H2 H 0.49913 0.76121 0.26106 1.00000
H3 H 0.99996 0.22901 0.27108 1.00000
H4 H 0.50078 0.23902 0.73887 1.00000
Rh1 Rh 0.49996 0.50010 0.99998 1.00000
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