Hf3Rh8
Alexandria ALEXAlex-ID: agm005536620 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B8_94_spg2
Hf3Rh5 HfRh3
2023-05-28 07:09:28.432327
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005536620).
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 agm005536620
data_agm005536620
_cell_length_a 5.50547
_cell_length_b 4.80222
_cell_length_c 7.45010
_cell_angle_alpha 107.79032
_cell_angle_beta 94.26187
_cell_angle_gamma 89.31860
_cell_volume 187.01958
_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
Hf1 Hf 0.50000 0.00000 0.50000 1.00000
Hf2 Hf 0.00000 0.50000 0.50000 1.00000
Hf3 Hf 0.50000 0.50000 0.00000 1.00000
Rh1 Rh 0.01057 0.29770 0.08041 1.00000
Rh2 Rh 0.34468 0.97844 0.84372 1.00000
Rh3 Rh 0.07660 0.89104 0.29932 1.00000
Rh4 Rh 0.39139 0.43062 0.32762 1.00000
Rh5 Rh 0.60861 0.56938 0.67238 1.00000
Rh6 Rh 0.92340 0.10896 0.70068 1.00000
Rh7 Rh 0.65532 0.02156 0.15628 1.00000
Rh8 Rh 0.98943 0.70230 0.91959 1.00000
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