AgPdAu2
Alexandria ALEXAlex-ID: agm078705181 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_77_spg63
AgPdAu2
2025-01-10 01:15:58
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm078705181).
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
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# CIF generated by HEAS from Alexandria entry agm078705181
data_agm078705181
_cell_length_a 5.01275
_cell_length_b 4.78931
_cell_length_c 5.75830
_cell_angle_alpha 90.00000
_cell_angle_beta 90.19584
_cell_angle_gamma 90.00000
_cell_volume 138.24224
_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
Ag1 Ag 0.08528 0.75000 0.87623 1.00000
Ag2 Ag 0.91472 0.25000 0.12377 1.00000
Pd1 Pd 0.41121 0.25000 0.37472 1.00000
Pd2 Pd 0.58879 0.75000 0.62528 1.00000
Au1 Au 0.90910 0.25000 0.61905 1.00000
Au2 Au 0.09090 0.75000 0.38095 1.00000
Au3 Au 0.58157 0.75000 0.13060 1.00000
Au4 Au 0.41843 0.25000 0.86940 1.00000
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