LaUN3
Alexandria ALEXAlex-ID: agm056883752 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_53_spg62
LaUN3
2024-09-14 04:25:27.811833
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm056883752).
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 agm056883752
data_agm056883752
_cell_length_a 5.96807
_cell_length_b 6.03819
_cell_length_c 8.48768
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 305.86501
_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
La1 La 0.00846 0.46250 0.25000 1.00000
La2 La 0.50846 0.03750 0.75000 1.00000
La3 La 0.99154 0.53750 0.75000 1.00000
La4 La 0.49154 0.96250 0.25000 1.00000
U1 U 0.50000 0.50000 0.00000 1.00000
U2 U 0.00000 0.00000 0.50000 1.00000
U3 U 0.50000 0.50000 0.50000 1.00000
U4 U 0.00000 0.00000 0.00000 1.00000
N1 N 0.28118 0.20203 0.04998 1.00000
N2 N 0.78118 0.29797 0.54998 1.00000
N3 N 0.71882 0.79797 0.95002 1.00000
N4 N 0.21882 0.70203 0.45002 1.00000
N5 N 0.28118 0.20203 0.45002 1.00000
N6 N 0.78118 0.29797 0.95002 1.00000
N7 N 0.71882 0.79797 0.54998 1.00000
N8 N 0.21882 0.70203 0.04998 1.00000
N9 N 0.90415 0.02742 0.25000 1.00000
N10 N 0.40415 0.47258 0.75000 1.00000
N11 N 0.09585 0.97258 0.75000 1.00000
N12 N 0.59585 0.52742 0.25000 1.00000
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