BrO
Alexandria ALEXAlex-ID: agm002115877 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB_1303_spg1
Br2O BrO4
2021-11-12 14:14:42.085498
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002115877).
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 agm002115877
data_agm002115877
_cell_length_a 5.55637
_cell_length_b 6.20493
_cell_length_c 7.79988
_cell_angle_alpha 89.07204
_cell_angle_beta 71.28322
_cell_angle_gamma 72.65002
_cell_volume 242.16393
_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
Br1 Br 0.36895 0.66979 0.51262 1.00000
Br2 Br 0.97704 0.87034 0.14941 1.00000
Br3 Br 0.66698 0.66296 0.91116 1.00000
Br4 Br 0.57829 0.37142 0.74605 1.00000
O1 O 0.22022 0.85751 0.36731 1.00000
O2 O 0.39213 0.07233 0.32578 1.00000
O3 O 0.74509 0.93436 0.02994 1.00000
O4 O 0.55544 0.03334 0.40730 1.00000
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