Pu3(PPd)4
Alexandria ALEXAlex-ID: agm005702425 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_1_spg71
Pu3(PPd)4
2023-06-29 23:01:13.368182
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005702425).
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 agm005702425
data_agm005702425
_cell_length_a 3.89129
_cell_length_b 7.51432
_cell_length_c 7.85537
_cell_angle_alpha 118.57390
_cell_angle_beta 104.34046
_cell_angle_gamma 90.00000
_cell_volume 193.52854
_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 0.10803 0.10803 0.21606 1.00000
Pu2 Pu 0.89197 0.89197 0.78394 1.00000
Pu3 Pu 0.00000 0.50000 0.00000 1.00000
P1 P 0.22746 0.72746 0.45492 1.00000
P2 P 0.77254 0.27254 0.54508 1.00000
P3 P 0.50000 0.77645 1.00000 1.00000
P4 P 0.50000 0.22355 0.00000 1.00000
Pd1 Pd 0.32102 0.13245 0.64204 1.00000
Pd2 Pd 0.67898 0.49042 0.35796 1.00000
Pd3 Pd 0.67898 0.86755 0.35796 1.00000
Pd4 Pd 0.32102 0.50958 0.64204 1.00000
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