Al4Pd3Au2
Alexandria ALEXAlex-ID: agm005644434 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_138_spg12
AlAu2 AlPd
2023-06-26 17:18:47.131383
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005644434).
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 agm005644434
data_agm005644434
_cell_length_a 4.37499
_cell_length_b 4.39640
_cell_length_c 8.33616
_cell_angle_alpha 90.49748
_cell_angle_beta 90.00000
_cell_angle_gamma 119.83907
_cell_volume 139.07554
_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
Al1 Al 0.33364 0.66729 0.10548 1.00000
Al2 Al 0.99902 0.99805 0.66589 1.00000
Al3 Al 0.00098 0.00195 0.33411 1.00000
Al4 Al 0.66636 0.33271 0.89452 1.00000
Pd1 Pd 0.66600 0.33200 0.58644 1.00000
Pd2 Pd 0.00000 0.00000 0.00000 1.00000
Pd3 Pd 0.33400 0.66800 0.41356 1.00000
Au1 Au 0.66695 0.33390 0.22004 1.00000
Au2 Au 0.33305 0.66610 0.77996 1.00000
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