Ag5(BrF)2
Alexandria ALEXAlex-ID: agm005566331 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_594_spg12
Ag3F2 AgBr
2023-06-02 18:14:09.745280
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005566331).
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 agm005566331
data_agm005566331
_cell_length_a 3.53338
_cell_length_b 5.63021
_cell_length_c 9.75337
_cell_angle_alpha 95.28092
_cell_angle_beta 89.99947
_cell_angle_gamma 108.28906
_cell_volume 183.36165
_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 0.74931 0.49860 0.11389 1.00000
Ag2 Ag 0.25069 0.50140 0.88611 1.00000
Ag3 Ag 0.87024 0.74048 0.55863 1.00000
Ag4 Ag 0.12976 0.25952 0.44137 1.00000
Ag5 Ag 0.00000 0.00000 0.00000 1.00000
Br1 Br 0.62069 0.24139 0.66315 1.00000
Br2 Br 0.37931 0.75861 0.33685 1.00000
F1 F 0.89372 0.78744 0.79751 1.00000
F2 F 0.10628 0.21256 0.20249 1.00000
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