HfAl5Cu2
Alexandria ALEXAlex-ID: agm002134232 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_14_spg139
Hf(AlCu)6 Al2Cu HfAl3
2018-05-26 21:51:21
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002134232).
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 agm002134232
data_agm002134232
_cell_length_a 4.08349
_cell_length_b 4.08349
_cell_length_c 7.85182
_cell_angle_alpha 105.05597
_cell_angle_beta 105.05597
_cell_angle_gamma 90.11421
_cell_volume 121.75448
_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 0.00000 0.00000 0.00000 1.00000
Al1 Al 0.14171 0.64227 0.28375 1.00000
Al2 Al 0.85829 0.35773 0.71625 1.00000
Al3 Al 0.64227 0.14171 0.28375 1.00000
Al4 Al 0.35773 0.85829 0.71625 1.00000
Al5 Al 0.50000 0.50000 0.00000 1.00000
Cu1 Cu 0.24593 0.24593 0.49053 1.00000
Cu2 Cu 0.75407 0.75407 0.50946 1.00000
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