Ag3I2F
Alexandria ALEXAlex-ID: agm005602215 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1522_spg63
AgIF6 Ag2F AgI
2023-08-17 20:59:03.995458
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005602215).
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 agm005602215
data_agm005602215
_cell_length_a 6.31311
_cell_length_b 8.76583
_cell_length_c 8.76583
_cell_angle_alpha 133.12372
_cell_angle_beta 89.99936
_cell_angle_gamma 90.00064
_cell_volume 354.06321
_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 0.51140 0.10640 0.89354 1.00000
Ag2 Ag 0.01140 0.10646 0.89360 1.00000
Ag3 Ag 0.26105 0.48710 0.48710 1.00000
Ag4 Ag 0.76105 0.51290 0.51290 1.00000
Ag5 Ag 0.01141 0.89360 0.10647 1.00000
Ag6 Ag 0.51141 0.89353 0.10640 1.00000
I1 I 0.76134 0.15666 0.45446 1.00000
I2 I 0.26134 0.54554 0.84334 1.00000
I3 I 0.26134 0.84334 0.54554 1.00000
I4 I 0.76134 0.45446 0.15666 1.00000
F1 F 0.76134 0.84169 0.84169 1.00000
F2 F 0.26134 0.15831 0.15831 1.00000
Get direct link