Pd2AuCl6
Alexandria ALEXAlex-ID: agm003500569 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_884_spg12
AuCl2 PdCl2
2022-04-21 15:22:50.234861
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003500569).
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 agm003500569
data_agm003500569
_cell_length_a 7.68768
_cell_length_b 8.31034
_cell_length_c 8.31034
_cell_angle_alpha 96.22157
_cell_angle_beta 84.95834
_cell_angle_gamma 84.95834
_cell_volume 523.20642
_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 0.25032 0.74998 0.74994 1.00000
Pd2 Pd 0.24968 0.25006 0.25002 1.00000
Pd3 Pd 0.74968 0.25002 0.25006 1.00000
Pd4 Pd 0.75032 0.74994 0.74998 1.00000
Au1 Au 0.25000 0.25007 0.74993 1.00000
Au2 Au 0.75000 0.74993 0.25007 1.00000
Cl1 Cl 0.50033 0.85618 0.64387 1.00000
Cl2 Cl 0.99967 0.35613 0.14382 1.00000
Cl3 Cl 0.49967 0.14382 0.35613 1.00000
Cl4 Cl 0.00033 0.64387 0.85618 1.00000
Cl5 Cl 0.90612 0.71561 0.49249 1.00000
Cl6 Cl 0.59388 0.50751 0.28439 1.00000
Cl7 Cl 0.09388 0.28439 0.50751 1.00000
Cl8 Cl 0.40612 0.49249 0.71561 1.00000
Cl9 Cl 0.09438 0.00732 0.78405 1.00000
Cl10 Cl 0.40562 0.21595 0.99268 1.00000
Cl11 Cl 0.90562 0.99268 0.21595 1.00000
Cl12 Cl 0.59438 0.78405 0.00732 1.00000
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