CuPd3Au2
Alexandria ALEXAlex-ID: agm019295232 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1993_spg14
Cu6Pd5Au CuPd3 PdAu
2024-12-05 03:03:15
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm019295232).
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 agm019295232
data_agm019295232
_cell_length_a 3.98206
_cell_length_b 8.40904
_cell_length_c 11.31659
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 378.93880
_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
Cu1 Cu 0.25000 0.58846 0.56498 1.00000
Cu2 Cu 0.75000 0.41154 0.43502 1.00000
Cu3 Cu 0.75000 0.08846 0.93502 1.00000
Cu4 Cu 0.25000 0.91154 0.06498 1.00000
Pd1 Pd 0.25000 0.91681 0.56411 1.00000
Pd2 Pd 0.75000 0.08319 0.43589 1.00000
Pd3 Pd 0.75000 0.41681 0.93589 1.00000
Pd4 Pd 0.25000 0.58319 0.06411 1.00000
Pd5 Pd 0.25000 0.25822 0.81062 1.00000
Pd6 Pd 0.75000 0.74178 0.18938 1.00000
Pd7 Pd 0.75000 0.75822 0.68938 1.00000
Pd8 Pd 0.25000 0.24178 0.31062 1.00000
Pd9 Pd 0.25000 0.93007 0.82193 1.00000
Pd10 Pd 0.75000 0.06993 0.17807 1.00000
Pd11 Pd 0.75000 0.43007 0.67807 1.00000
Pd12 Pd 0.25000 0.56993 0.32193 1.00000
Au1 Au 0.25000 0.23471 0.05509 1.00000
Au2 Au 0.75000 0.76529 0.94491 1.00000
Au3 Au 0.75000 0.73471 0.44491 1.00000
Au4 Au 0.25000 0.26529 0.55509 1.00000
Au5 Au 0.25000 0.59033 0.80945 1.00000
Au6 Au 0.75000 0.40967 0.19055 1.00000
Au7 Au 0.75000 0.09033 0.69055 1.00000
Au8 Au 0.25000 0.90967 0.30945 1.00000
