Pu2Pd13
Alexandria ALEXAlex-ID: agm003286341 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B13_20_spg166
PuPd8 PuPd3
2022-01-14 16:34:04.238129
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003286341).
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 agm003286341
data_agm003286341
_cell_length_a 7.37318
_cell_length_b 7.37318
_cell_length_c 7.94662
_cell_angle_alpha 62.35970
_cell_angle_beta 62.35970
_cell_angle_gamma 59.99999
_cell_volume 315.92099
_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 0.25960 0.25960 0.22119 1.00000
Pu2 Pu 0.74040 0.74040 0.77881 1.00000
Pd1 Pd 0.50000 0.50000 0.50000 1.00000
Pd2 Pd 0.48216 0.85530 0.18038 1.00000
Pd3 Pd 0.48216 0.48216 0.18038 1.00000
Pd4 Pd 0.85530 0.48216 0.18038 1.00000
Pd5 Pd 0.14470 0.51784 0.81962 1.00000
Pd6 Pd 0.51784 0.14470 0.81962 1.00000
Pd7 Pd 0.51784 0.51784 0.81962 1.00000
Pd8 Pd 0.26300 0.89281 0.58118 1.00000
Pd9 Pd 0.26300 0.26300 0.58118 1.00000
Pd10 Pd 0.89281 0.26300 0.58118 1.00000
Pd11 Pd 0.10719 0.73700 0.41882 1.00000
Pd12 Pd 0.73700 0.10719 0.41882 1.00000
Pd13 Pd 0.73700 0.73700 0.41882 1.00000
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