Zr2NpU3N6
Alexandria ALEXAlex-ID: agm034241970 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_28_spg12
ZrNpU6N8 Zr3NpU2N6 ZrNp2UN4
2024-11-02 05:24:55.633155
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034241970).
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 agm034241970
data_agm034241970
_cell_length_a 7.57810
_cell_length_b 7.57810
_cell_length_c 6.79757
_cell_angle_alpha 76.58915
_cell_angle_beta 76.58915
_cell_angle_gamma 25.65088
_cell_volume 164.13495
_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
Zr1 Zr 0.16734 0.16734 0.16489 1.00000
Zr2 Zr 0.83266 0.83266 0.83511 1.00000
Np1 Np 0.50000 0.50000 0.50000 1.00000
U1 U 0.50000 0.50000 0.00000 1.00000
U2 U 0.16684 0.16684 0.66622 1.00000
U3 U 0.83316 0.83316 0.33378 1.00000
N1 N 0.66941 0.66941 0.40293 1.00000
N2 N 0.33126 0.33126 0.08011 1.00000
N3 N 0.33059 0.33059 0.59707 1.00000
N4 N 0.99441 0.99441 0.75808 1.00000
N5 N 0.00559 0.00559 0.24192 1.00000
N6 N 0.66874 0.66874 0.91989 1.00000
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