Ag(AsI3)2
Alexandria ALEXAlex-ID: agm005757706 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_161_spg12
AsI3 As AgI
2023-07-06 11:21:37.774736
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005757706).
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 agm005757706
data_agm005757706
_cell_length_a 4.49840
_cell_length_b 8.95317
_cell_length_c 9.60010
_cell_angle_alpha 105.72658
_cell_angle_beta 103.54974
_cell_angle_gamma 90.00000
_cell_volume 360.97696
_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 0.50000 0.00000 0.00000 1.00000
As1 As 0.83534 0.67573 0.67069 1.00000
As2 As 0.16466 0.32427 0.32931 1.00000
I1 I 0.32721 0.87986 0.65442 1.00000
I2 I 0.00990 0.23879 0.01981 1.00000
I3 I 0.66759 0.55821 0.33518 1.00000
I4 I 0.99010 0.76121 0.98019 1.00000
I5 I 0.67279 0.12014 0.34558 1.00000
I6 I 0.33241 0.44179 0.66482 1.00000
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