Ag6Br2Cl5
Alexandria ALEXAlex-ID: agm005673031 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C6_83_spg15
Ag3(BrCl)2 AgCl
2023-06-19 19:19:06.524321
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005673031).
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 agm005673031
data_agm005673031
_cell_length_a 8.03208
_cell_length_b 8.03205
_cell_length_c 13.93758
_cell_angle_alpha 102.67550
_cell_angle_beta 102.67550
_cell_angle_gamma 54.89093
_cell_volume 712.73371
_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
Ag1 Ag 0.09281 0.04504 0.62317 1.00000
Ag2 Ag 0.95496 0.90719 0.87683 1.00000
Ag3 Ag 0.90719 0.95496 0.37683 1.00000
Ag4 Ag 0.04504 0.09281 0.12317 1.00000
Ag5 Ag 0.44958 0.37755 0.67099 1.00000
Ag6 Ag 0.62245 0.55042 0.82901 1.00000
Ag7 Ag 0.55042 0.62245 0.32901 1.00000
Ag8 Ag 0.37755 0.44958 0.17099 1.00000
Ag9 Ag 0.50975 0.89380 0.58344 1.00000
Ag10 Ag 0.10620 0.49025 0.91656 1.00000
Ag11 Ag 0.49025 0.10620 0.41656 1.00000
Ag12 Ag 0.89380 0.50975 0.08344 1.00000
Br1 Br 0.19276 0.29554 0.54345 1.00000
Br2 Br 0.70446 0.80725 0.95655 1.00000
Br3 Br 0.80724 0.70446 0.45655 1.00000
Br4 Br 0.29554 0.19275 0.04345 1.00000
Cl1 Cl 0.75868 0.28930 0.98097 1.00000
Cl2 Cl 0.71070 0.24132 0.51903 1.00000
Cl3 Cl 0.24132 0.71070 0.01903 1.00000
Cl4 Cl 0.28930 0.75868 0.48097 1.00000
Cl5 Cl 0.66423 0.02481 0.73385 1.00000
Cl6 Cl 0.97519 0.33577 0.76615 1.00000
Cl7 Cl 0.33577 0.97519 0.26615 1.00000
Cl8 Cl 0.02481 0.66423 0.23385 1.00000
Cl9 Cl 0.24958 0.75042 0.75000 1.00000
Cl10 Cl 0.75042 0.24958 0.25000 1.00000
