Ag2I3Cl8
Alexandria ALEXAlex-ID: agm005647854 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C8_336_spg15
AgICl4 ICl AgCl
2023-06-15 23:56:57.790524
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005647854).
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 agm005647854
data_agm005647854
_cell_length_a 7.40206
_cell_length_b 7.87296
_cell_length_c 22.61417
_cell_angle_alpha 102.05597
_cell_angle_beta 89.99998
_cell_angle_gamma 118.04039
_cell_volume 1130.13096
_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 0.82784 0.33651 0.84490 1.00000
Ag2 Ag 0.49133 0.66349 0.65510 1.00000
Ag3 Ag 0.17216 0.66349 0.15510 1.00000
Ag4 Ag 0.50867 0.33651 0.34490 1.00000
I1 I 0.14072 0.00000 0.25000 1.00000
I2 I 0.85928 1.00000 0.75000 1.00000
I3 I 0.90898 0.45809 0.58681 1.00000
I4 I 0.45088 0.54191 0.91319 1.00000
I5 I 0.09102 0.54191 0.41319 1.00000
I6 I 0.54912 0.45809 0.08681 1.00000
Cl1 Cl 0.32051 0.57270 0.03984 1.00000
Cl2 Cl 0.74781 0.42730 0.46016 1.00000
Cl3 Cl 0.67949 0.42730 0.96016 1.00000
Cl4 Cl 0.25219 0.57270 0.53984 1.00000
Cl5 Cl 0.76908 0.35129 0.13259 1.00000
Cl6 Cl 0.41779 0.64871 0.36741 1.00000
Cl7 Cl 0.23092 0.64871 0.86741 1.00000
Cl8 Cl 0.58221 0.35129 0.63259 1.00000
Cl9 Cl 0.37543 0.52529 0.19079 1.00000
Cl10 Cl 0.85015 0.47471 0.30921 1.00000
Cl11 Cl 0.88926 0.06848 0.86791 1.00000
Cl12 Cl 0.82079 0.93152 0.63209 1.00000
Cl13 Cl 0.11074 0.93152 0.13209 1.00000
Cl14 Cl 0.17921 0.06848 0.36791 1.00000
Cl15 Cl 0.14985 0.52529 0.69079 1.00000
Cl16 Cl 0.62457 0.47471 0.80921 1.00000
