PuU5P8
Alexandria ALEXAlex-ID: agm027554335 · Space group: I-4 (#82)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C8_5_spg82
PuU5P8
2024-11-13 11:30:27.773279
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm027554335).
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 agm027554335
data_agm027554335
_cell_length_a 7.08623
_cell_length_b 7.08623
_cell_length_c 7.08623
_cell_angle_alpha 109.50282
_cell_angle_beta 109.50282
_cell_angle_gamma 109.40804
_cell_volume 273.91986
_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 0.00000 0.00000 0.00000 1.00000
U1 U 0.50165 0.37869 0.62522 1.00000
U2 U 0.12357 0.49835 0.87704 1.00000
U3 U 0.75347 0.87643 0.37478 1.00000
U4 U 0.25000 0.75000 0.50000 1.00000
U5 U 0.62131 0.24653 0.12296 1.00000
P1 P 0.03302 0.28786 0.41132 1.00000
P2 P 0.37830 0.96698 0.25484 1.00000
P3 P 0.87455 0.62051 0.09059 1.00000
P4 P 0.21604 0.12545 0.74596 1.00000
P5 P 0.37949 0.47008 0.25404 1.00000
P6 P 0.71214 0.12346 0.74516 1.00000
P7 P 0.87654 0.62170 0.58868 1.00000
P8 P 0.52992 0.78396 0.90941 1.00000
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