UBr4(NO2)2
Alexandria ALEXAlex-ID: agm005248178 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4D4_60_spg2
N2O UO3 Br
2023-04-21 15:15:49.616405
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005248178).
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 agm005248178
data_agm005248178
_cell_length_a 4.95511
_cell_length_b 7.11963
_cell_length_c 12.99348
_cell_angle_alpha 94.36472
_cell_angle_beta 85.52735
_cell_angle_gamma 134.25131
_cell_volume 327.18800
_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 0.00000 0.00000 0.00000 1.00000
Br1 Br 0.02600 0.75887 0.60776 1.00000
Br2 Br 0.97400 0.24113 0.39224 1.00000
Br3 Br 0.73564 0.33256 0.11530 1.00000
Br4 Br 0.26436 0.66744 0.88470 1.00000
N1 N 0.66797 0.75806 0.60379 1.00000
N2 N 0.33203 0.24194 0.39621 1.00000
O1 O 0.80961 0.72230 0.07709 1.00000
O2 O 0.19039 0.27770 0.92291 1.00000
O3 O 0.73740 0.07467 0.11265 1.00000
O4 O 0.26260 0.92533 0.88735 1.00000
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