Rb(SeBr3)2
Alexandria ALEXAlex-ID: agm097277482 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_2800_spg69
SeBr SeBr4 Rb2SeBr6
2025-04-07 06:58:33
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097277482).
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 agm097277482
data_agm097277482
_cell_length_a 5.47019
_cell_length_b 6.02732
_cell_length_c 13.24680
_cell_angle_alpha 77.91433
_cell_angle_beta 81.40081
_cell_angle_gamma 77.16580
_cell_volume 413.96760
_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 0.55721 0.56250 0.30685 1.00000
Se1 Se 0.96268 0.90702 0.96293 1.00000
Se2 Se 0.90845 0.18663 0.80865 1.00000
Br1 Br 0.89049 0.56371 0.90240 1.00000
Br2 Br 0.04203 0.36032 0.46417 1.00000
Br3 Br 0.19172 0.16581 0.29240 1.00000
Br4 Br 0.89025 0.57131 0.61262 1.00000
Br5 Br 0.61848 0.03404 0.10258 1.00000
Br6 Br 0.43870 0.14865 0.79738 1.00000
Get direct link