Pd5Au2
Alexandria ALEXAlex-ID: agm009596906 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5_8_spg2
PdAu Pd3Au
2025-04-18 21:00:18
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009596906).
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
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# CIF generated by HEAS from Alexandria entry agm009596906
data_agm009596906
_cell_length_a 6.32906
_cell_length_b 6.32906
_cell_length_c 6.93399
_cell_angle_alpha 68.83522
_cell_angle_beta 111.16478
_cell_angle_gamma 154.02979
_cell_volume 112.97255
_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
Pd1 Pd 0.57420 0.42580 0.22001 1.00000
Pd2 Pd 0.42580 0.57420 0.77999 1.00000
Pd3 Pd 0.00000 0.00000 0.50000 1.00000
Pd4 Pd 0.71295 0.28705 0.63815 1.00000
Pd5 Pd 0.28705 0.71295 0.36185 1.00000
Au1 Au 0.85996 0.14004 0.07282 1.00000
Au2 Au 0.14004 0.85996 0.92718 1.00000
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