Ac2Pd3Au
Alexandria ALEXAlex-ID: agm005668124 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2051_spg44
Ac3Pd3Au2 Ac3Pd5 Ac4Pd12Au
2023-08-24 03:34:52.838062
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005668124).
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 agm005668124
data_agm005668124
_cell_length_a 4.21021
_cell_length_b 4.17416
_cell_length_c 9.21299
_cell_angle_alpha 103.09326
_cell_angle_beta 103.20838
_cell_angle_gamma 90.00000
_cell_volume 153.29997
_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
Ac1 Ac 0.12642 0.12642 0.25283 1.00000
Ac2 Ac 0.86586 0.36586 0.73171 1.00000
Pd1 Pd 0.70458 0.70458 0.40915 1.00000
Pd2 Pd 0.55234 0.55234 0.10467 1.00000
Pd3 Pd 0.29748 0.79748 0.59497 1.00000
Au1 Au 0.45333 0.95333 0.90667 1.00000
