Pd3Au4
Alexandria ALEXAlex-ID: agm007895624 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4_192_spg2
PdAu Pd5Au7
2024-04-23 16:46:08.260344
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007895624).
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 agm007895624
data_agm007895624
_cell_length_a 4.96543
_cell_length_b 4.96543
_cell_length_c 6.44972
_cell_angle_alpha 82.29949
_cell_angle_beta 82.29949
_cell_angle_gamma 48.61791
_cell_volume 118.01944
_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
Pd1 Pd 0.99915 0.99915 0.99734 1.00000
Pd2 Pd 0.71369 0.71369 0.85704 1.00000
Pd3 Pd 0.14350 0.14350 0.57402 1.00000
Au1 Au 0.43077 0.43077 0.71757 1.00000
Au2 Au 0.85580 0.85580 0.43269 1.00000
Au3 Au 0.57060 0.57060 0.28238 1.00000
Au4 Au 0.28346 0.28346 0.13896 1.00000
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