CdCu2Pd5Au
Alexandria ALEXAlex-ID: agm005176265 · Space group: I4/mcm (#140)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_205_spg140
CdPd2Au Cd2Pd7 CdPd4Au Cu6Pd5Au
2023-01-20 01:13:52.336424
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005176265).
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 agm005176265
data_agm005176265
_cell_length_a 6.16494
_cell_length_b 6.16494
_cell_length_c 8.93972
_cell_angle_alpha 110.16996
_cell_angle_beta 110.16996
_cell_angle_gamma 90.00000
_cell_volume 296.63368
_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
Cd1 Cd 0.25000 0.25000 0.50000 1.00000
Cd2 Cd 0.75000 0.75000 0.50000 1.00000
Cu1 Cu 0.12445 0.37555 0.00000 1.00000
Cu2 Cu 0.62445 0.12445 1.00000 1.00000
Cu3 Cu 0.37555 0.87555 0.00000 1.00000
Cu4 Cu 0.87555 0.62445 0.00000 1.00000
Pd1 Pd 0.91975 0.41975 0.24894 1.00000
Pd2 Pd 0.67081 0.17081 0.75106 1.00000
Pd3 Pd 0.08025 0.58025 0.75106 1.00000
Pd4 Pd 0.17081 0.08025 0.75106 1.00000
Pd5 Pd 0.58025 0.67081 0.75106 1.00000
Pd6 Pd 0.82919 0.91975 0.24894 1.00000
Pd7 Pd 0.41975 0.32919 0.24894 1.00000
Pd8 Pd 0.32919 0.82919 0.24894 1.00000
Pd9 Pd 0.50000 0.50000 0.00000 1.00000
Pd10 Pd 0.00000 0.00000 0.00000 1.00000
Au1 Au 0.25000 0.75000 0.50000 1.00000
Au2 Au 0.75000 0.25000 0.50000 1.00000
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