Cs2BrO3
Alexandria ALEXAlex-ID: agm003427811 · Space group: Fmmm (#69)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_957_spg69
Cs2BrO2 Cs4BrO12 CsBr
2022-02-13 20:41:08.503095
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003427811).
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 agm003427811
data_agm003427811
_cell_length_a 7.80990
_cell_length_b 7.80990
_cell_length_c 8.27903
_cell_angle_alpha 106.27713
_cell_angle_beta 106.27713
_cell_angle_gamma 113.93880
_cell_volume 395.84680
_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
Cs1 Cs 0.25000 0.75000 0.50000 1.00000
Cs2 Cs 0.73497 0.73497 0.00000 1.00000
Cs3 Cs 0.75000 0.25000 0.50000 1.00000
Cs4 Cs 0.26503 0.26503 1.00000 1.00000
Br1 Br 0.72596 0.72596 0.45193 1.00000
Br2 Br 0.27404 0.27404 0.54807 1.00000
O1 O 0.53306 0.76958 0.30263 1.00000
O2 O 0.23042 0.46694 0.69737 1.00000
O3 O 0.46694 0.23042 0.69737 1.00000
O4 O 0.76958 0.53306 0.30263 1.00000
O5 O 0.14146 0.14146 0.28291 1.00000
O6 O 0.85854 0.85854 0.71709 1.00000
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