H4Pd5Au2
Alexandria ALEXAlex-ID: agm005652889 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_845_spg12
H2(PdAu)5 PdAu3 HPd
2023-06-21 14:49:18.842995
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005652889).
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 agm005652889
data_agm005652889
_cell_length_a 5.82348
_cell_length_b 5.44542
_cell_length_c 7.24628
_cell_angle_alpha 67.08673
_cell_angle_beta 43.27168
_cell_angle_gamma 57.67528
_cell_volume 133.10151
_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
H1 H 0.73395 0.73620 0.76072 1.00000
H2 H 0.26605 0.26380 0.23928 1.00000
H3 H 0.52985 0.73619 0.23928 1.00000
H4 H 0.47015 0.26381 0.76072 1.00000
Pd1 Pd 0.50000 0.00000 0.00000 1.00000
Pd2 Pd 0.00000 0.50000 0.00000 1.00000
Pd3 Pd 0.50000 0.50000 0.00000 1.00000
Pd4 Pd 0.21156 0.57688 0.50000 1.00000
Pd5 Pd 0.78844 0.42312 0.50000 1.00000
Au1 Au 0.83602 0.00000 0.27264 1.00000
Au2 Au 0.16398 1.00000 0.72736 1.00000
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