As4Pd8Au
Alexandria ALEXAlex-ID: agm097989764 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_161_spg1
PdAu17 As2Pd AsPd2
2025-06-02 09:35:34
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097989764).
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 agm097989764
data_agm097989764
_cell_length_a 4.24813
_cell_length_b 8.27934
_cell_length_c 7.61869
_cell_angle_alpha 55.25622
_cell_angle_beta 96.69285
_cell_angle_gamma 93.24095
_cell_volume 218.67077
_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
As1 As 0.23967 0.94200 0.98369 1.00000
As2 As 0.27445 0.51416 0.00295 1.00000
As3 As 0.76884 0.49488 0.50144 1.00000
As4 As 0.81221 0.98081 0.45270 1.00000
Pd1 Pd 0.30366 0.14668 0.25802 1.00000
Pd2 Pd 0.76445 0.68752 0.08765 1.00000
Pd3 Pd 0.75570 0.61781 0.74295 1.00000
Pd4 Pd 0.82044 0.13063 0.65687 1.00000
Pd5 Pd 0.19190 0.75118 0.38754 1.00000
Pd6 Pd 0.26968 0.40436 0.38582 1.00000
Pd7 Pd 0.23515 0.35630 0.79474 1.00000
Pd8 Pd 0.31090 0.87283 0.70519 1.00000
Au1 Au 0.75293 0.10083 0.04045 1.00000
Get direct link