Pu3Ag5Pd2
Alexandria ALEXAlex-ID: agm003344409 · Space group: Ibam (#72)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C5_99_spg72
Pu2AgPd3 PuAg2 Ag
2022-02-02 15:21:10.586623
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003344409).
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 agm003344409
data_agm003344409
_cell_length_a 5.68773
_cell_length_b 9.32153
_cell_length_c 9.32153
_cell_angle_alpha 91.31471
_cell_angle_beta 72.23672
_cell_angle_gamma 72.23668
_cell_volume 444.52989
_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 0.25000 0.00000 0.00000 1.00000
Pu2 Pu 0.75000 0.00000 0.00000 1.00000
Pu3 Pu 0.37276 0.36269 0.89179 1.00000
Pu4 Pu 0.62724 0.63731 0.10821 1.00000
Pu5 Pu 0.87276 0.89179 0.36269 1.00000
Pu6 Pu 0.12724 0.10821 0.63731 1.00000
Ag1 Ag 0.25000 0.50000 0.50000 1.00000
Ag2 Ag 0.75000 0.50000 0.50000 1.00000
Ag3 Ag 0.50871 0.74129 0.74129 1.00000
Ag4 Ag 0.99129 0.25871 0.25871 1.00000
Ag5 Ag 0.49129 0.25871 0.25871 1.00000
Ag6 Ag 0.00871 0.74129 0.74129 1.00000
Ag7 Ag 0.11502 0.53360 0.23637 1.00000
Ag8 Ag 0.88498 0.46640 0.76363 1.00000
Ag9 Ag 0.61502 0.23637 0.53360 1.00000
Ag10 Ag 0.38498 0.76363 0.46640 1.00000
Pd1 Pd 0.14088 0.70627 0.01196 1.00000
Pd2 Pd 0.85912 0.29373 0.98804 1.00000
Pd3 Pd 0.64088 0.01196 0.70627 1.00000
Pd4 Pd 0.35912 0.98804 0.29373 1.00000
