PuPd4Au
Alexandria ALEXAlex-ID: agm005752959 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_3427_spg70
PuPd6Au PuPd6Au5 PuPd3
2023-07-31 01:02:05.432043
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005752959).
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 agm005752959
data_agm005752959
_cell_length_a 10.01222
_cell_length_b 5.44991
_cell_length_c 5.44990
_cell_angle_alpha 63.51672
_cell_angle_beta 81.32699
_cell_angle_gamma 98.67302
_cell_volume 255.01455
_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
Pu1 Pu 0.50000 0.75000 0.75000 1.00000
Pu2 Pu 0.00000 0.50000 0.50000 1.00000
Pd1 Pd 0.24766 0.37272 0.87901 1.00000
Pd2 Pd 0.75234 0.87334 0.87494 1.00000
Pd3 Pd 0.25234 0.37506 0.37666 1.00000
Pd4 Pd 0.25234 0.87728 0.37099 1.00000
Pd5 Pd 0.74766 0.37099 0.87728 1.00000
Pd6 Pd 0.24766 0.87494 0.87334 1.00000
Pd7 Pd 0.74766 0.37666 0.37506 1.00000
Pd8 Pd 0.75234 0.87901 0.37272 1.00000
Au1 Au 0.00000 0.00000 0.00000 1.00000
Au2 Au 0.50000 0.25000 0.25000 1.00000
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