CeU5N6
Alexandria ALEXAlex-ID: agm034803385 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_53_spg71
CeU4N5 UN
2024-12-03 13:00:47
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034803385).
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 agm034803385
data_agm034803385
_cell_length_a 7.73866
_cell_length_b 7.73866
_cell_length_c 6.91683
_cell_angle_alpha 77.11008
_cell_angle_beta 102.88992
_cell_angle_gamma 154.16799
_cell_volume 175.70181
_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 0.50000 1.00000
U1 U 0.50000 0.50000 0.00000 1.00000
U2 U 0.16554 0.83446 0.33257 1.00000
U3 U 0.83446 0.16554 0.66743 1.00000
U4 U 0.16805 0.83195 0.83483 1.00000
U5 U 0.83195 0.16805 0.16517 1.00000
N1 N 0.67170 0.32830 0.58590 1.00000
N2 N 0.33479 0.66521 0.91688 1.00000
N3 N 0.32830 0.67170 0.41410 1.00000
N4 N 0.99826 0.00174 0.23274 1.00000
N5 N 0.00174 0.99826 0.76726 1.00000
N6 N 0.66521 0.33479 0.08312 1.00000
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