Rb8Br5O
Alexandria ALEXAlex-ID: agm003680452 · Space group: F-43m (#216)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C8_44_spg216
Rb6Br4O Rb9O2 RbBr
2022-04-28 07:03:26.678243
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003680452).
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 agm003680452
data_agm003680452
_cell_length_a 9.99301
_cell_length_b 9.99301
_cell_length_c 9.99301
_cell_angle_alpha 60.00000
_cell_angle_beta 60.00000
_cell_angle_gamma 60.00000
_cell_volume 705.62443
_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
Rb1 Rb 0.35859 0.92424 0.35859 1.00000
Rb2 Rb 0.92424 0.35859 0.35859 1.00000
Rb3 Rb 0.35859 0.35859 0.35859 1.00000
Rb4 Rb 0.35859 0.35859 0.92424 1.00000
Rb5 Rb 0.86507 0.86507 0.40478 1.00000
Rb6 Rb 0.40478 0.86507 0.86507 1.00000
Rb7 Rb 0.86507 0.86507 0.86507 1.00000
Rb8 Rb 0.86507 0.40478 0.86507 1.00000
Br1 Br 0.00000 0.00000 0.00000 1.00000
Br2 Br 0.62477 0.62477 0.12568 1.00000
Br3 Br 0.62477 0.62477 0.62477 1.00000
Br4 Br 0.12568 0.62477 0.62477 1.00000
Br5 Br 0.62477 0.12568 0.62477 1.00000
O1 O 0.25000 0.25000 0.25000 1.00000
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