U2Br3
Alexandria ALEXAlex-ID: agm002201543 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3_118_spg12
UBr3 UBr
2018-07-09 18:04:07
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002201543).
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
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# CIF generated by HEAS from Alexandria entry agm002201543
data_agm002201543
_cell_length_a 3.64091
_cell_length_b 9.63123
_cell_length_c 10.74546
_cell_angle_alpha 63.93004
_cell_angle_beta 80.24614
_cell_angle_gamma 79.09473
_cell_volume 330.76250
_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 0.95806 0.86067 0.22336 1.00000
U2 U 0.04194 0.13933 0.77664 1.00000
U3 U 0.54210 0.85581 0.06018 1.00000
U4 U 0.45790 0.14419 0.93982 1.00000
Br1 Br 0.10785 0.56102 0.22268 1.00000
Br2 Br 0.89215 0.43898 0.77732 1.00000
Br3 Br 0.16623 0.80582 0.86177 1.00000
Br4 Br 0.83377 0.19418 0.13823 1.00000
Br5 Br 0.63507 0.17058 0.55922 1.00000
Br6 Br 0.36493 0.82942 0.44078 1.00000
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