Zn5Au2
Alexandria ALEXAlex-ID: agm007804666 · Space group: Ibam (#72)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5_672_spg122
Zn2Au Zn3Au
2025-03-01 01:03:37
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007804666).
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 agm007804666
data_agm007804666
_cell_length_a 7.61020
_cell_length_b 7.61020
_cell_length_c 7.61020
_cell_angle_alpha 137.42977
_cell_angle_beta 128.40698
_cell_angle_gamma 69.04148
_cell_volume 229.46533
_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 0.26727 0.09270 0.17457 1.00000
Zn2 Zn 0.73273 0.90730 0.82543 1.00000
Zn3 Zn 0.91814 0.59270 0.32543 1.00000
Zn4 Zn 0.08186 0.40730 0.67457 1.00000
Zn5 Zn 0.73667 0.48667 0.75000 1.00000
Zn6 Zn 0.26333 0.01333 0.75000 1.00000
Zn7 Zn 0.26333 0.51333 0.25000 1.00000
Zn8 Zn 0.73667 0.98667 0.25000 1.00000
Zn9 Zn 0.50000 0.75000 0.25000 1.00000
Zn10 Zn 0.50000 0.25000 0.75000 1.00000
Au1 Au 0.65162 0.37962 0.27200 1.00000
Au2 Au 0.34838 0.62038 0.72800 1.00000
Au3 Au 0.10763 0.87962 0.22800 1.00000
Au4 Au 0.89237 0.12038 0.77200 1.00000
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