PuU3Nb
Alexandria ALEXAlex-ID: agm015605477 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_295_spg12
Pu U Nb
2024-09-30 15:59:38.636709
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm015605477).
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 agm015605477
data_agm015605477
_cell_length_a 5.37486
_cell_length_b 5.77842
_cell_length_c 6.57946
_cell_angle_alpha 100.43625
_cell_angle_beta 98.44208
_cell_angle_gamma 94.57953
_cell_volume 197.59462
_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 0.79838 0.33862 0.66725 1.00000
Pu2 Pu 0.20162 0.66138 0.33275 1.00000
U1 U 0.92868 0.78442 0.04122 1.00000
U2 U 0.42840 0.07901 0.72846 1.00000
U3 U 0.85834 0.74652 0.56607 1.00000
U4 U 0.14166 0.25348 0.43393 1.00000
U5 U 0.57160 0.92099 0.27154 1.00000
U6 U 0.07132 0.21558 0.95878 1.00000
Nb1 Nb 0.62119 0.37629 0.16387 1.00000
Nb2 Nb 0.37881 0.62371 0.83613 1.00000
Get direct link