Ce3Np2UN6
Alexandria ALEXAlex-ID: agm034223093 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_125_spg2
Np5UN6 Ce5UN6
2025-01-02 19:24:04
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034223093).
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 agm034223093
data_agm034223093
_cell_length_a 7.84262
_cell_length_b 7.84262
_cell_length_c 7.01833
_cell_angle_alpha 76.55231
_cell_angle_beta 103.44769
_cell_angle_gamma 154.25525
_cell_volume 182.08979
_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
Ce1 Ce 0.50000 0.50000 0.00000 1.00000
Ce2 Ce 0.16802 0.83198 0.33311 1.00000
Ce3 Ce 0.83198 0.16802 0.66689 1.00000
Np1 Np 0.16662 0.83338 0.83472 1.00000
Np2 Np 0.83338 0.16662 0.16528 1.00000
U1 U 0.50000 0.50000 0.50000 1.00000
N1 N 0.65821 0.34179 0.59350 1.00000
N2 N 0.32737 0.67263 0.92928 1.00000
N3 N 0.34179 0.65821 0.40650 1.00000
N4 N 0.99692 0.00308 0.27138 1.00000
N5 N 0.00308 0.99692 0.72862 1.00000
N6 N 0.67263 0.32737 0.07072 1.00000
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