Fe3(Pd2Au)2
Alexandria ALEXAlex-ID: agm005659867 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_696_spg12
PdAu2 FePd2 Fe
2023-06-27 00:07:27.357102
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005659867).
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 agm005659867
data_agm005659867
_cell_length_a 2.76570
_cell_length_b 6.61687
_cell_length_c 7.70558
_cell_angle_alpha 97.53567
_cell_angle_beta 100.33834
_cell_angle_gamma 90.00001
_cell_volume 137.48658
_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
Fe1 Fe 0.10756 0.37539 0.21512 1.00000
Fe2 Fe 0.89244 0.62461 0.78488 1.00000
Fe3 Fe 0.00000 0.00000 0.00000 1.00000
Pd1 Pd 0.54113 0.69062 0.08226 1.00000
Pd2 Pd 0.28243 0.34503 0.56487 1.00000
Pd3 Pd 0.45887 0.30938 0.91774 1.00000
Pd4 Pd 0.71757 0.65497 0.43513 1.00000
Au1 Au 0.66086 0.04882 0.32172 1.00000
Au2 Au 0.33914 0.95118 0.67828 1.00000
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