Ce2UN3
Alexandria ALEXAlex-ID: agm034606894 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_36_spg70
Ce2UN3
2024-12-11 03:49:28
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034606894).
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 agm034606894
data_agm034606894
_cell_length_a 11.64136
_cell_length_b 11.09579
_cell_length_c 6.09448
_cell_angle_alpha 79.46065
_cell_angle_beta 69.56280
_cell_angle_gamma 30.97655
_cell_volume 368.43354
_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 0.49763 0.49763 0.00237 1.00000
Ce2 Ce 0.91830 0.91830 0.08170 1.00000
Ce3 Ce 0.33170 0.33170 0.16830 1.00000
Ce4 Ce 0.75237 0.75237 0.24763 1.00000
Ce5 Ce 0.24763 0.24763 0.75237 1.00000
Ce6 Ce 0.16830 0.16830 0.33170 1.00000
Ce7 Ce 0.08170 0.08170 0.91830 1.00000
Ce8 Ce 0.00237 0.00237 0.49763 1.00000
U1 U 0.41624 0.41624 0.58376 1.00000
U2 U 0.83376 0.83376 0.66624 1.00000
U3 U 0.66624 0.66624 0.83376 1.00000
U4 U 0.58376 0.58376 0.41624 1.00000
N1 N 0.16028 0.66363 0.36628 1.00000
N2 N 0.66363 0.16028 0.80980 1.00000
N3 N 0.08972 0.58637 0.88372 1.00000
N4 N 0.58637 0.08972 0.44020 1.00000
N5 N 0.97096 0.52904 0.52904 1.00000
N6 N 0.52904 0.97096 0.97096 1.00000
N7 N 0.44020 0.88372 0.58637 1.00000
N8 N 0.88372 0.44020 0.08972 1.00000
N9 N 0.80980 0.36628 0.66363 1.00000
N10 N 0.36628 0.80980 0.16028 1.00000
N11 N 0.27904 0.72096 0.72096 1.00000
N12 N 0.72096 0.27904 0.27904 1.00000
