CdAg2(ICl)2
Alexandria ALEXAlex-ID: agm004545003 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2_159_spg12
AgI CdCl2
2022-06-22 01:56:21.019390
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004545003).
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 agm004545003
data_agm004545003
_cell_length_a 4.31718
_cell_length_b 8.42135
_cell_length_c 7.48558
_cell_angle_alpha 51.67506
_cell_angle_beta 73.23980
_cell_angle_gamma 75.14796
_cell_volume 203.34245
_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
Cd1 Cd 0.00000 0.00000 0.00000 1.00000
Ag1 Ag 0.24592 0.24891 0.25926 1.00000
Ag2 Ag 0.75408 0.75109 0.74074 1.00000
I1 I 0.60653 0.16466 0.62227 1.00000
I2 I 0.39347 0.83534 0.37773 1.00000
Cl1 Cl 0.15028 0.66213 0.03732 1.00000
Cl2 Cl 0.84972 0.33787 0.96268 1.00000
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