Sm2UN3
Alexandria ALEXAlex-ID: agm034887356 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_36_spg70
Sm2UN3
2025-04-15 07:36:29
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034887356).
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 agm034887356
data_agm034887356
_cell_length_a 11.64348
_cell_length_b 11.09685
_cell_length_c 6.10538
_cell_angle_alpha 79.43460
_cell_angle_beta 69.53647
_cell_angle_gamma 31.02893
_cell_volume 369.77269
_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
Sm1 Sm 0.99836 0.99836 0.50164 1.00000
Sm2 Sm 0.41793 0.41793 0.58207 1.00000
Sm3 Sm 0.83207 0.83207 0.66793 1.00000
Sm4 Sm 0.25164 0.25164 0.74836 1.00000
Sm5 Sm 0.74836 0.74836 0.25164 1.00000
Sm6 Sm 0.66793 0.66793 0.83207 1.00000
Sm7 Sm 0.58207 0.58207 0.41793 1.00000
Sm8 Sm 0.50164 0.50164 0.99836 1.00000
U1 U 0.91632 0.91632 0.08368 1.00000
U2 U 0.33368 0.33368 0.16632 1.00000
U3 U 0.16632 0.16632 0.33368 1.00000
U4 U 0.08368 0.08368 0.91632 1.00000
N1 N 0.66015 0.16132 0.87062 1.00000
N2 N 0.16132 0.66015 0.30790 1.00000
N3 N 0.58985 0.08868 0.37938 1.00000
N4 N 0.08868 0.58985 0.94210 1.00000
N5 N 0.46704 0.03296 0.03296 1.00000
N6 N 0.03296 0.46704 0.46704 1.00000
N7 N 0.94210 0.37938 0.08868 1.00000
N8 N 0.37938 0.94210 0.58985 1.00000
N9 N 0.30790 0.87062 0.16132 1.00000
N10 N 0.87062 0.30790 0.66015 1.00000
N11 N 0.78296 0.21704 0.21704 1.00000
N12 N 0.21704 0.78296 0.78296 1.00000
