Zn6Cu5Au
Alexandria ALEXAlex-ID: agm003676667 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_47_spg65
Zn2CuAu Zn8Cu5 Cu
2022-04-09 20:46:37.084041
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003676667).
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 agm003676667
data_agm003676667
_cell_length_a 7.90774
_cell_length_b 4.01814
_cell_length_c 6.37185
_cell_angle_alpha 71.62083
_cell_angle_beta 80.48795
_cell_angle_gamma 58.39143
_cell_volume 163.63098
_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
Zn1 Zn 0.74178 0.08592 0.34153 1.00000
Zn2 Zn 0.25822 0.57256 0.34153 1.00000
Zn3 Zn 0.26338 0.23631 0.00000 1.00000
Zn4 Zn 0.73662 0.76369 1.00000 1.00000
Zn5 Zn 0.74178 0.42744 0.65847 1.00000
Zn6 Zn 0.25822 0.91408 0.65847 1.00000
Cu1 Cu 0.50000 0.16555 0.66889 1.00000
Cu2 Cu 0.00000 0.32931 0.34138 1.00000
Cu3 Cu 0.50000 0.50000 0.00000 1.00000
Cu4 Cu 1.00000 0.67069 0.65862 1.00000
Cu5 Cu 0.50000 0.83445 0.33111 1.00000
Au1 Au 0.00000 0.00000 0.00000 1.00000
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