Zn5Pd2Au5
Alexandria ALEXAlex-ID: agm005652126 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_60_spg166
Zn2Au3 ZnAu3 ZnPd
2023-06-19 14:28:03.145496
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005652126).
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 agm005652126
data_agm005652126
_cell_length_a 4.36891
_cell_length_b 4.36891
_cell_length_c 11.88465
_cell_angle_alpha 81.61371
_cell_angle_beta 81.61368
_cell_angle_gamma 62.92653
_cell_volume 199.01484
_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 0.86569 0.86569 0.43186 1.00000
Zn2 Zn 0.36526 0.36526 0.80573 1.00000
Zn3 Zn 0.63474 0.63474 0.19427 1.00000
Zn4 Zn 0.13431 0.13431 0.56814 1.00000
Zn5 Zn 0.00000 0.00000 0.00000 1.00000
Pd1 Pd 0.02904 0.02904 0.78531 1.00000
Pd2 Pd 0.97096 0.97096 0.21469 1.00000
Au1 Au 0.50000 0.50000 0.50000 1.00000
Au2 Au 0.32865 0.32865 0.07940 1.00000
Au3 Au 0.26743 0.26743 0.33268 1.00000
Au4 Au 0.73257 0.73257 0.66732 1.00000
Au5 Au 0.67135 0.67135 0.92060 1.00000
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