Bi6RhBr2
Alexandria ALEXAlex-ID: agm005652641 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1878_spg15
Bi12Rh3Br2 Bi BiBr3
2023-07-06 13:21:37.058079
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005652641).
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 agm005652641
data_agm005652641
_cell_length_a 10.02644
_cell_length_b 10.02644
_cell_length_c 7.85929
_cell_angle_alpha 94.72932
_cell_angle_beta 94.72932
_cell_angle_gamma 128.26975
_cell_volume 609.12459
_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
Bi1 Bi 0.66387 0.69700 0.15873 1.00000
Bi2 Bi 0.30300 0.33613 0.34127 1.00000
Bi3 Bi 0.33613 0.30300 0.84127 1.00000
Bi4 Bi 0.69700 0.66387 0.65873 1.00000
Bi5 Bi 0.89418 0.61075 0.25958 1.00000
Bi6 Bi 0.38925 0.10582 0.24042 1.00000
Bi7 Bi 0.10582 0.38925 0.74042 1.00000
Bi8 Bi 0.61075 0.89418 0.75958 1.00000
Bi9 Bi 0.17466 0.96724 0.54684 1.00000
Bi10 Bi 0.03276 0.82534 0.95316 1.00000
Bi11 Bi 0.82534 0.03276 0.45316 1.00000
Bi12 Bi 0.96724 0.17466 0.04684 1.00000
Rh1 Rh 0.01857 0.98143 0.25000 1.00000
Rh2 Rh 0.98143 0.01857 0.75000 1.00000
Br1 Br 0.33600 0.73826 0.00435 1.00000
Br2 Br 0.26174 0.66400 0.49565 1.00000
Br3 Br 0.66400 0.26174 0.99565 1.00000
Br4 Br 0.73826 0.33600 0.50435 1.00000
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