Sr3U4N9
Alexandria ALEXAlex-ID: agm005581093 · Space group: R32 (#155)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C9_12_spg146
Sr3U3N8 Sr2UN3 U4N7
2023-06-08 16:01:09.176080
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005581093).
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 agm005581093
data_agm005581093
_cell_length_a 6.04083
_cell_length_b 6.04083
_cell_length_c 9.08022
_cell_angle_alpha 70.57112
_cell_angle_beta 70.57111
_cell_angle_gamma 60.00000
_cell_volume 264.94746
_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
Sr1 Sr 0.99862 0.99862 0.00414 1.00000
Sr2 Sr 0.83563 0.83563 0.49312 1.00000
Sr3 Sr 0.41733 0.41733 0.74801 1.00000
U1 U 0.57225 0.57225 0.28324 1.00000
U2 U 0.13362 0.13362 0.59914 1.00000
U3 U 0.26198 0.26198 0.21407 1.00000
U4 U 0.70059 0.70059 0.89824 1.00000
N1 N 0.95217 0.43651 0.07838 1.00000
N2 N 0.53294 0.95217 0.07838 1.00000
N3 N 0.43651 0.53294 0.07838 1.00000
N4 N 0.88183 0.30168 0.41915 1.00000
N5 N 0.39734 0.88183 0.41915 1.00000
N6 N 0.30168 0.39734 0.41915 1.00000
N7 N 0.86270 0.41714 0.74868 1.00000
N8 N 0.41714 0.97147 0.74868 1.00000
N9 N 0.97147 0.86270 0.74868 1.00000
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