BrO2
Alexandria ALEXAlex-ID: agm005541985 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_1322_spg63
Br2O BrO4
2023-05-28 13:25:30.300322
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005541985).
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 agm005541985
data_agm005541985
_cell_length_a 3.20648
_cell_length_b 6.36476
_cell_length_c 9.67495
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 197.45105
_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 0.75000 0.74937 0.29231 1.00000
Br2 Br 0.25000 0.75063 0.79231 1.00000
Br3 Br 0.75000 0.24937 0.20769 1.00000
Br4 Br 0.25000 0.25063 0.70769 1.00000
O1 O 0.75000 0.50069 0.75006 1.00000
O2 O 0.25000 0.99931 0.25006 1.00000
O3 O 0.75000 0.00069 0.74994 1.00000
O4 O 0.25000 0.49931 0.24994 1.00000
O5 O 0.75000 0.24925 0.03749 1.00000
O6 O 0.25000 0.25075 0.53749 1.00000
O7 O 0.75000 0.74925 0.46251 1.00000
O8 O 0.25000 0.75075 0.96251 1.00000
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