Ag3Cl2F
Alexandria ALEXAlex-ID: agm005602233 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2408_spg14
AgCl AgF
2023-08-18 00:34:31.343458
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005602233).
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 agm005602233
data_agm005602233
_cell_length_a 3.89479
_cell_length_b 13.12252
_cell_length_c 11.71969
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 91.19801
_cell_volume 598.85620
_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 0.75287 0.95240 0.79188 1.00000
Ag2 Ag 0.75287 0.45240 0.70812 1.00000
Ag3 Ag 0.24713 0.04760 0.20812 1.00000
Ag4 Ag 0.24713 0.54760 0.29188 1.00000
Ag5 Ag 0.77280 0.71008 0.85584 1.00000
Ag6 Ag 0.77280 0.21008 0.64416 1.00000
Ag7 Ag 0.22720 0.28992 0.14416 1.00000
Ag8 Ag 0.22720 0.78992 0.35584 1.00000
Ag9 Ag 0.71791 0.77084 0.09353 1.00000
Ag10 Ag 0.71791 0.27084 0.40647 1.00000
Ag11 Ag 0.28209 0.22916 0.90647 1.00000
Ag12 Ag 0.28209 0.72916 0.59353 1.00000
Cl1 Cl 0.89911 0.14210 0.05682 1.00000
Cl2 Cl 0.89911 0.64210 0.44318 1.00000
Cl3 Cl 0.10089 0.85790 0.94318 1.00000
Cl4 Cl 0.10089 0.35790 0.55682 1.00000
Cl5 Cl 0.65723 0.91778 0.28229 1.00000
Cl6 Cl 0.65723 0.41778 0.21771 1.00000
Cl7 Cl 0.34277 0.08222 0.71771 1.00000
Cl8 Cl 0.34277 0.58222 0.78229 1.00000
F1 F 0.75448 0.80452 0.66955 1.00000
F2 F 0.75448 0.30452 0.83045 1.00000
F3 F 0.24552 0.19548 0.33045 1.00000
F4 F 0.24552 0.69548 0.16955 1.00000
