NpU5
Alexandria ALEXAlex-ID: agm017207803 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5_749_spg2
U Np
2025-04-14 16:46:06
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017207803).
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 agm017207803
data_agm017207803
_cell_length_a 5.08036
_cell_length_b 6.50941
_cell_length_c 7.82518
_cell_angle_alpha 106.40889
_cell_angle_beta 101.57696
_cell_angle_gamma 100.29959
_cell_volume 235.43049
_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
Np1 Np 0.69456 0.38438 0.88920 1.00000
Np2 Np 0.43445 0.63185 0.22673 1.00000
U1 U 0.43337 0.13115 0.22669 1.00000
U2 U 0.16074 0.85542 0.56015 1.00000
U3 U 0.69294 0.88857 0.88998 1.00000
U4 U 0.16172 0.35668 0.56014 1.00000
U5 U 0.91847 0.86936 0.22376 1.00000
U6 U 0.19953 0.64339 0.89910 1.00000
U7 U 0.66258 0.61234 0.55397 1.00000
U8 U 0.20440 0.14729 0.89280 1.00000
U9 U 0.66908 0.11695 0.56539 1.00000
U10 U 0.92765 0.37344 0.21887 1.00000
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