CuPd6Au5
Alexandria ALEXAlex-ID: agm003676679 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_47_spg65
Cu6Pd5Au CuPd3 PdAu
2022-04-09 20:34:32.660664
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003676679).
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 agm003676679
data_agm003676679
_cell_length_a 7.85755
_cell_length_b 4.51850
_cell_length_c 7.14045
_cell_angle_alpha 71.55452
_cell_angle_beta 79.53113
_cell_angle_gamma 54.95124
_cell_volume 196.88271
_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 0.00000 0.00000 0.00000 1.00000
Pd1 Pd 0.75566 0.08285 0.32301 1.00000
Pd2 Pd 0.24434 0.59414 0.32301 1.00000
Pd3 Pd 0.23716 0.26288 0.00000 1.00000
Pd4 Pd 0.76284 0.73712 0.00000 1.00000
Pd5 Pd 0.75566 0.40586 0.67699 1.00000
Pd6 Pd 0.24434 0.91715 0.67699 1.00000
Au1 Au 0.50000 0.16719 0.66563 1.00000
Au2 Au 1.00000 0.33110 0.33780 1.00000
Au3 Au 0.50000 0.50000 0.00000 1.00000
Au4 Au 0.00000 0.66890 0.66220 1.00000
Au5 Au 0.50000 0.83281 0.33437 1.00000
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