Pu5U3
Alexandria ALEXAlex-ID: agm010126569 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B5_1669_spg1
U Pu
2024-06-02 16:50:46.384074
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010126569).
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 agm010126569
data_agm010126569
_cell_length_a 5.75851
_cell_length_b 7.46363
_cell_length_c 7.57192
_cell_angle_alpha 94.56331
_cell_angle_beta 79.38686
_cell_angle_gamma 86.79726
_cell_volume 318.02818
_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 0.92260 0.98026 0.99469 1.00000
Pu2 Pu 0.85389 0.11623 0.36887 1.00000
Pu3 Pu 0.73087 0.39743 0.23679 1.00000
Pu4 Pu 0.38022 0.25778 0.18286 1.00000
Pu5 Pu 0.14076 0.60263 0.95272 1.00000
Pu6 Pu 0.44751 0.45071 0.55210 1.00000
Pu7 Pu 0.78303 0.71564 0.33518 1.00000
Pu8 Pu 0.21031 0.68074 0.25536 1.00000
Pu9 Pu 0.75898 0.79495 0.65744 1.00000
Pu10 Pu 0.34667 0.75214 0.70274 1.00000
U1 U 0.44649 0.92239 0.10396 1.00000
U2 U 0.27599 0.01061 0.52353 1.00000
U3 U 0.71302 0.13497 0.76272 1.00000
U4 U 0.23567 0.26640 0.89042 1.00000
U5 U 0.72694 0.51647 0.93085 1.00000
U6 U 0.02705 0.40065 0.54977 1.00000
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