Al2ZnCu6
Alexandria ALEXAlex-ID: agm005667308 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_645_spg15
AlCu3 Al4Cu9 Zn8Cu5
2023-07-06 10:00:49.313509
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005667308).
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 agm005667308
data_agm005667308
_cell_length_a 4.43597
_cell_length_b 7.43113
_cell_length_c 7.43114
_cell_angle_alpha 72.03472
_cell_angle_beta 83.50105
_cell_angle_gamma 83.50109
_cell_volume 230.72601
_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
Al1 Al 0.41710 0.54087 0.79172 1.00000
Al2 Al 0.08290 0.20828 0.45913 1.00000
Al3 Al 0.58290 0.45913 0.20828 1.00000
Al4 Al 0.91710 0.79172 0.54087 1.00000
Zn1 Zn 0.25000 0.12348 0.87652 1.00000
Zn2 Zn 0.75000 0.87652 0.12348 1.00000
Cu1 Cu 0.46974 0.68019 0.43027 1.00000
Cu2 Cu 0.03026 0.56973 0.31981 1.00000
Cu3 Cu 0.53026 0.31981 0.56973 1.00000
Cu4 Cu 0.96974 0.43027 0.68019 1.00000
Cu5 Cu 0.63481 0.09907 0.34669 1.00000
Cu6 Cu 0.86519 0.65331 0.90093 1.00000
Cu7 Cu 0.36519 0.90093 0.65331 1.00000
Cu8 Cu 0.13481 0.34669 0.09907 1.00000
Cu9 Cu 0.30813 0.76194 0.01372 1.00000
Cu10 Cu 0.19187 0.98628 0.23806 1.00000
Cu11 Cu 0.69187 0.23806 0.98628 1.00000
Cu12 Cu 0.80813 0.01372 0.76194 1.00000
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