Ba6AsRh2Br3
Alexandria ALEXAlex-ID: agm004597481 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_175_spg12
Ba4Rh Ba6As2RhBr3 Ba2Rh2Br Ba3RhBr2
2022-06-26 11:29:10.080033
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004597481).
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 agm004597481
data_agm004597481
_cell_length_a 8.02370
_cell_length_b 8.02370
_cell_length_c 8.47998
_cell_angle_alpha 99.09203
_cell_angle_beta 99.09203
_cell_angle_gamma 119.99122
_cell_volume 448.60980
_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
Ba1 Ba 0.93029 0.58662 0.79093 1.00000
Ba2 Ba 0.72642 0.72642 0.20954 1.00000
Ba3 Ba 0.06971 0.41338 0.20907 1.00000
Ba4 Ba 0.58662 0.93029 0.79093 1.00000
Ba5 Ba 0.27358 0.27358 0.79046 1.00000
Ba6 Ba 0.41338 0.06971 0.20907 1.00000
As1 As 0.00000 0.00000 0.00000 1.00000
Rh1 Rh 0.33338 0.66662 0.00000 1.00000
Rh2 Rh 0.66662 0.33338 0.00000 1.00000
Br1 Br 0.16555 0.83445 0.50000 1.00000
Br2 Br 0.83445 0.16555 0.50000 1.00000
Br3 Br 0.50000 0.50000 0.50000 1.00000
Get direct link