Ag3(BrCl2)2
Alexandria ALEXAlex-ID: agm005653305 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_747_spg12
Ag3Cl4 Br
2023-06-26 21:20:08.852251
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005653305).
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 agm005653305
data_agm005653305
_cell_length_a 8.15111
_cell_length_b 7.28615
_cell_length_c 8.41330
_cell_angle_alpha 64.58541
_cell_angle_beta 39.89267
_cell_angle_gamma 55.98867
_cell_volume 265.64011
_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 0.00000 0.50000 0.00000 1.00000
Ag2 Ag 0.00000 0.00000 0.00000 1.00000
Ag3 Ag 0.50000 0.50000 0.00000 1.00000
Br1 Br 0.60021 0.00000 0.80084 1.00000
Br2 Br 0.39979 1.00000 0.19916 1.00000
Cl1 Cl 0.71150 0.29172 0.29454 1.00000
Cl2 Cl 0.00322 0.70828 0.29454 1.00000
Cl3 Cl 0.28850 0.70828 0.70546 1.00000
Cl4 Cl 0.99678 0.29172 0.70546 1.00000
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