ZrAl2Cu5
Alexandria ALEXAlex-ID: agm005492095 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_14_spg139
AlCu3 Zr(AlCu)6 Zr6Al7Cu16
2023-03-18 07:48:14.541355
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005492095).
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 agm005492095
data_agm005492095
_cell_length_a 6.59930
_cell_length_b 6.59930
_cell_length_c 6.59930
_cell_angle_alpha 141.07703
_cell_angle_beta 141.07703
_cell_angle_gamma 56.22157
_cell_volume 112.55929
_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
Zr1 Zr 0.00000 0.00000 0.00000 1.00000
Al1 Al 0.25884 0.25884 0.00000 1.00000
Al2 Al 0.74116 0.74116 0.00000 1.00000
Cu1 Cu 0.50000 0.50000 0.00000 1.00000
Cu2 Cu 0.13276 0.63276 0.50000 1.00000
Cu3 Cu 0.63276 0.13276 0.50000 1.00000
Cu4 Cu 0.86724 0.36724 0.50000 1.00000
Cu5 Cu 0.36724 0.86724 0.50000 1.00000
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