Rb3(HgBr3)2
Alexandria ALEXAlex-ID: agm003347488 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C6_7_spg139
Rb2HgBr4 HgBr RbBr
2022-02-04 17:15:58.299032
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003347488).
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 agm003347488
data_agm003347488
_cell_length_a 5.61570
_cell_length_b 5.61570
_cell_length_c 14.44219
_cell_angle_alpha 101.21085
_cell_angle_beta 101.21085
_cell_angle_gamma 90.00000
_cell_volume 437.89684
_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 0.00000 0.00000 0.00000 1.00000
Rb2 Rb 0.82390 0.82390 0.64779 1.00000
Rb3 Rb 0.17610 0.17610 0.35221 1.00000
Hg1 Hg 0.40113 0.40113 0.80227 1.00000
Hg2 Hg 0.59887 0.59887 0.19773 1.00000
Br1 Br 0.08181 0.58181 0.16361 1.00000
Br2 Br 0.58181 0.08181 0.16361 1.00000
Br3 Br 0.91819 0.41819 0.83639 1.00000
Br4 Br 0.41819 0.91819 0.83639 1.00000
Br5 Br 0.70064 0.70064 0.40127 1.00000
Br6 Br 0.29936 0.29936 0.59873 1.00000
Get direct link