Ag3ICl8
Alexandria ALEXAlex-ID: agm005997008 · Space group: C222 (#21)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C8_227_spg21
Ag3Cl4 AgCl2 ICl3
2023-09-07 22:06:55.443891
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005997008).
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 agm005997008
data_agm005997008
_cell_length_a 6.41862
_cell_length_b 6.41862
_cell_length_c 9.01058
_cell_angle_alpha 89.99998
_cell_angle_beta 89.99998
_cell_angle_gamma 100.11940
_cell_volume 365.44899
_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 1.00000 0.50000 0.18133 1.00000
Ag2 Ag 0.50000 0.50000 0.00000 1.00000
Ag3 Ag 0.50000 0.00000 0.81867 1.00000
I1 I 0.50000 0.50000 0.50000 1.00000
Cl1 Cl 0.75038 0.24962 0.50000 1.00000
Cl2 Cl 0.74731 0.25269 0.00000 1.00000
Cl3 Cl 0.71386 0.72652 0.70182 1.00000
Cl4 Cl 0.72652 0.71386 0.29818 1.00000
Cl5 Cl 0.27348 0.28614 0.29818 1.00000
Cl6 Cl 0.28614 0.27348 0.70182 1.00000
Cl7 Cl 0.25269 0.74731 1.00000 1.00000
Cl8 Cl 0.24962 0.75038 0.50000 1.00000
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