Hf6CuRh5
Alexandria ALEXAlex-ID: agm006133003 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_53_spg71
Hf2Cu Hf7Cu10 HfRh
2023-08-26 00:37:42.981524
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006133003).
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 agm006133003
data_agm006133003
_cell_length_a 4.60399
_cell_length_b 6.59082
_cell_length_c 7.99032
_cell_angle_alpha 114.35822
_cell_angle_beta 106.74538
_cell_angle_gamma 89.99707
_cell_volume 209.54021
_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
Rh1 Rh 0.66941 0.16941 0.33882 1.00000
Rh2 Rh 0.33260 0.33260 0.66520 1.00000
Rh3 Rh 0.00000 0.50000 0.00000 1.00000
Rh4 Rh 0.66740 0.66740 0.33480 1.00000
Rh5 Rh 0.33059 0.83059 0.66118 1.00000
Hf1 Hf 0.83441 0.58519 0.66874 1.00000
Hf2 Hf 0.83433 0.08355 0.66874 1.00000
Hf3 Hf 0.50005 0.75152 1.00000 1.00000
Hf4 Hf 0.49995 0.24848 0.00000 1.00000
Hf5 Hf 0.16567 0.91645 0.33126 1.00000
Hf6 Hf 0.16559 0.41481 0.33126 1.00000
Cu1 Cu 0.00000 0.00000 0.00000 1.00000
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