UBr3N
Alexandria ALEXAlex-ID: agm005915212 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_1659_spg12
UN2 UBr5 N2
2023-07-05 04:06:18.740222
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005915212).
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 agm005915212
data_agm005915212
_cell_length_a 6.15409
_cell_length_b 6.15441
_cell_length_c 10.32875
_cell_angle_alpha 96.46886
_cell_angle_beta 96.25982
_cell_angle_gamma 68.25500
_cell_volume 360.08795
_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
U1 U 0.93394 0.40002 0.52728 1.00000
U2 U 0.43424 0.89974 0.52727 1.00000
Br1 Br 0.22369 0.18742 0.31095 1.00000
Br2 Br 0.14451 0.11236 0.74361 1.00000
Br3 Br 0.44555 0.41207 0.61283 1.00000
Br4 Br 0.58734 0.55107 0.31087 1.00000
Br5 Br 0.92274 0.88759 0.44173 1.00000
Br6 Br 0.78087 0.74870 0.74368 1.00000
N1 N 0.48873 0.45318 0.96224 1.00000
N2 N 0.87904 0.84696 0.09193 1.00000
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