U(Pd4Au)2
Alexandria ALEXAlex-ID: agm049535367 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_336_spg12
U(Pd4Au)2
2024-10-31 22:55:56.319952
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm049535367).
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 agm049535367
data_agm049535367
_cell_length_a 4.97602
_cell_length_b 4.99738
_cell_length_c 7.49002
_cell_angle_alpha 96.13256
_cell_angle_beta 89.83390
_cell_angle_gamma 99.61688
_cell_volume 182.56506
_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
U1 U 0.00000 0.00000 0.00000 1.00000
Pd1 Pd 0.09412 0.54919 0.18110 1.00000
Pd2 Pd 0.81817 0.90920 0.64296 1.00000
Pd3 Pd 0.64335 0.82475 0.26524 1.00000
Pd4 Pd 0.54767 0.27772 0.08984 1.00000
Pd5 Pd 0.35665 0.17525 0.73476 1.00000
Pd6 Pd 0.18183 0.09080 0.35704 1.00000
Pd7 Pd 0.90588 0.45081 0.81890 1.00000
Pd8 Pd 0.45233 0.72228 0.91016 1.00000
Au1 Au 0.72628 0.36152 0.45308 1.00000
Au2 Au 0.27372 0.63848 0.54692 1.00000
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