Ga3Bi5Cl12
Alexandria ALEXAlex-ID: agm003248232 · Space group: R-3c (#167)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B5C12_15_spg167
GaCl3 Ga(BiCl)4 BiCl3
2022-01-01 16:17:38.059094
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003248232).
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 agm003248232
data_agm003248232
_cell_length_a 12.58917
_cell_length_b 12.58917
_cell_length_c 12.58917
_cell_angle_alpha 57.01818
_cell_angle_beta 57.01818
_cell_angle_gamma 57.01819
_cell_volume 1313.84427
_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
Ga1 Ga 0.25000 0.78672 0.71328 1.00000
Ga2 Ga 0.71328 0.25000 0.78672 1.00000
Ga3 Ga 0.78672 0.71328 0.25000 1.00000
Ga4 Ga 0.75000 0.21328 0.28672 1.00000
Ga5 Ga 0.28672 0.75000 0.21328 1.00000
Ga6 Ga 0.21328 0.28672 0.75000 1.00000
Bi1 Bi 0.32470 0.32470 0.32470 1.00000
Bi2 Bi 0.17530 0.17530 0.17530 1.00000
Bi3 Bi 0.67530 0.67530 0.67530 1.00000
Bi4 Bi 0.82470 0.82470 0.82470 1.00000
Bi5 Bi 0.25000 0.41165 0.08835 1.00000
Bi6 Bi 0.08835 0.25000 0.41165 1.00000
Bi7 Bi 0.41165 0.08835 0.25000 1.00000
Bi8 Bi 0.75000 0.58835 0.91165 1.00000
Bi9 Bi 0.91165 0.75000 0.58835 1.00000
Bi10 Bi 0.58835 0.91165 0.75000 1.00000
Cl1 Cl 0.07141 0.97197 0.67882 1.00000
Cl2 Cl 0.67882 0.07141 0.97197 1.00000
Cl3 Cl 0.97197 0.67882 0.07141 1.00000
Cl4 Cl 0.42859 0.82118 0.52803 1.00000
Cl5 Cl 0.52803 0.42859 0.82118 1.00000
Cl6 Cl 0.82118 0.52803 0.42859 1.00000
Cl7 Cl 0.92859 0.02803 0.32118 1.00000
Cl8 Cl 0.32118 0.92859 0.02803 1.00000
Cl9 Cl 0.02803 0.32118 0.92859 1.00000
Cl10 Cl 0.57141 0.17882 0.47197 1.00000
Cl11 Cl 0.47197 0.57141 0.17882 1.00000
Cl12 Cl 0.17882 0.47197 0.57141 1.00000
Cl13 Cl 0.29836 0.74345 0.87905 1.00000
Cl14 Cl 0.87905 0.29836 0.74345 1.00000
Cl15 Cl 0.74345 0.87905 0.29836 1.00000
Cl16 Cl 0.20164 0.62095 0.75655 1.00000
Cl17 Cl 0.37905 0.24345 0.79836 1.00000
Cl18 Cl 0.24345 0.79836 0.37905 1.00000
Cl19 Cl 0.79836 0.37905 0.24345 1.00000
Cl20 Cl 0.25655 0.12095 0.70164 1.00000
Cl21 Cl 0.12095 0.70164 0.25655 1.00000
Cl22 Cl 0.70164 0.25655 0.12095 1.00000
Cl23 Cl 0.62095 0.75655 0.20164 1.00000
Cl24 Cl 0.75655 0.20164 0.62095 1.00000
