Zn5Ga2Au5
Alexandria ALEXAlex-ID: agm005656167 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_205_spg2
Zn2Au Ga2Au ZnAu
2023-06-19 14:35:51.137169
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005656167).
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 agm005656167
data_agm005656167
_cell_length_a 4.59937
_cell_length_b 4.42270
_cell_length_c 12.53139
_cell_angle_alpha 88.57612
_cell_angle_beta 81.02855
_cell_angle_gamma 56.93226
_cell_volume 210.44734
_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 0.50000 0.50000 0.50000 1.00000
Zn2 Zn 0.29361 0.32005 0.07823 1.00000
Zn3 Zn 0.26105 0.08551 0.34840 1.00000
Zn4 Zn 0.73895 0.91449 0.65160 1.00000
Zn5 Zn 0.70639 0.67995 0.92177 1.00000
Ga1 Ga 0.11547 0.03550 0.77464 1.00000
Ga2 Ga 0.88453 0.96450 0.22536 1.00000
Au1 Au 0.87857 0.79392 0.42798 1.00000
Au2 Au 0.41886 0.35362 0.83798 1.00000
Au3 Au 0.58114 0.64638 0.16202 1.00000
Au4 Au 0.12143 0.20608 0.57202 1.00000
Au5 Au 0.00000 0.00000 1.00000 1.00000
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