Hf8Al2Re
Alexandria ALEXAlex-ID: agm003533503 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_259_spg8
Hf2AlRe Hf3Al Hf7Re2
2022-03-13 15:53:31.068448
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003533503).
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 agm003533503
data_agm003533503
_cell_length_a 4.73444
_cell_length_b 6.95643
_cell_length_c 7.85414
_cell_angle_alpha 112.19268
_cell_angle_beta 107.54155
_cell_angle_gamma 90.00000
_cell_volume 226.46729
_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 0.39761 0.56901 0.79521 1.00000
Hf2 Hf 0.66394 0.91905 0.32788 1.00000
Hf3 Hf 0.81885 0.75373 0.63769 1.00000
Hf4 Hf 0.98032 0.21877 0.96065 1.00000
Hf5 Hf 0.18115 0.24627 0.36231 1.00000
Hf6 Hf 0.33606 0.08095 0.67212 1.00000
Hf7 Hf 0.60239 0.43099 0.20479 1.00000
Hf8 Hf 0.01968 0.78123 0.03936 1.00000
Al1 Al 0.81145 0.33596 0.62290 1.00000
Al2 Al 0.18855 0.66404 0.37710 1.00000
Re1 Re 0.50000 0.00000 0.00000 1.00000
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