CdCuPd3Au
Alexandria ALEXAlex-ID: agm005030173 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD3_502_spg12
CdPd2Au CdCu4Pd5 Cd2Pd7 Cu6Pd5Au
2022-07-05 17:49:46.511296
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005030173).
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 agm005030173
data_agm005030173
_cell_length_a 4.34239
_cell_length_b 8.82981
_cell_length_c 5.44550
_cell_angle_alpha 100.29215
_cell_angle_beta 90.00000
_cell_angle_gamma 104.23467
_cell_volume 198.91561
_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 0.31154 0.62307 0.95938 1.00000
Cd2 Cd 0.68846 0.37693 0.04062 1.00000
Cu1 Cu 0.62117 0.24234 0.44536 1.00000
Cu2 Cu 0.37883 0.75766 0.55464 1.00000
Pd1 Pd 0.86372 0.72745 0.27704 1.00000
Pd2 Pd 0.76993 0.53986 0.64773 1.00000
Pd3 Pd 0.46958 0.93915 0.22508 1.00000
Pd4 Pd 0.23007 0.46014 0.35227 1.00000
Pd5 Pd 0.53042 0.06085 0.77492 1.00000
Pd6 Pd 0.13628 0.27255 0.72296 1.00000
Au1 Au 0.06963 0.13925 0.17293 1.00000
Au2 Au 0.93037 0.86075 0.82707 1.00000
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