NpU2N3
Alexandria ALEXAlex-ID: agm033654842 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2914_spg15
Np3U5N8 NpU4N5
2024-10-24 00:08:06.961120
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033654842).
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 agm033654842
data_agm033654842
_cell_length_a 11.44845
_cell_length_b 10.91516
_cell_length_c 5.94948
_cell_angle_alpha 79.58908
_cell_angle_beta 69.67244
_cell_angle_gamma 30.73848
_cell_volume 345.38588
_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 0.91684 0.91684 0.08316 1.00000
Np2 Np 0.33316 0.33316 0.16684 1.00000
Np3 Np 0.16684 0.16684 0.33316 1.00000
Np4 Np 0.08316 0.08316 0.91684 1.00000
U1 U 0.00068 0.00068 0.49932 1.00000
U2 U 0.41600 0.41600 0.58400 1.00000
U3 U 0.83400 0.83400 0.66600 1.00000
U4 U 0.24932 0.24932 0.75068 1.00000
U5 U 0.75068 0.75068 0.24932 1.00000
U6 U 0.66600 0.66600 0.83400 1.00000
U7 U 0.58400 0.58400 0.41600 1.00000
U8 U 0.49932 0.49932 0.00068 1.00000
N1 N 0.16734 0.66787 0.33713 1.00000
N2 N 0.66787 0.16734 0.82766 1.00000
N3 N 0.08266 0.58213 0.91287 1.00000
N4 N 0.58213 0.08266 0.42234 1.00000
N5 N 0.99450 0.50550 0.50550 1.00000
N6 N 0.50550 0.99450 0.99450 1.00000
N7 N 0.42234 0.91287 0.58213 1.00000
N8 N 0.91287 0.42234 0.08266 1.00000
N9 N 0.82766 0.33713 0.66787 1.00000
N10 N 0.33713 0.82766 0.16734 1.00000
N11 N 0.25550 0.74450 0.74450 1.00000
N12 N 0.74450 0.25550 0.25550 1.00000
