Rb4BrO2
Alexandria ALEXAlex-ID: agm096378751 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_179_spg10
Rb3BrO2 Rb3BrO Rb2O
2025-04-11 10:22:17
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm096378751).
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 agm096378751
data_agm096378751
_cell_length_a 4.34356
_cell_length_b 8.15651
_cell_length_c 7.18433
_cell_angle_alpha 91.22708
_cell_angle_beta 89.99713
_cell_angle_gamma 89.99888
_cell_volume 254.47054
_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 0.49999 0.19148 0.16035 1.00000
Rb2 Rb 0.99996 0.16281 0.67640 1.00000
Rb3 Rb 0.00004 0.83721 0.32363 1.00000
Rb4 Rb 0.50003 0.80850 0.83964 1.00000
Br1 Br 0.00000 0.50000 0.99998 1.00000
O1 O 0.99999 1.00000 0.00001 1.00000
O2 O 0.49999 0.00000 0.50001 1.00000
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