CdAg3Cl8
Alexandria ALEXAlex-ID: agm087963972 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C8_11_spg21
AgCl2 CdCl2
2025-03-14 13:11:05
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm087963972).
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 agm087963972
data_agm087963972
_cell_length_a 6.73636
_cell_length_b 6.73636
_cell_length_c 8.13943
_cell_angle_alpha 84.08299
_cell_angle_beta 95.91701
_cell_angle_gamma 110.11311
_cell_volume 344.07692
_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 0.47971 0.47971 0.00000 1.00000
Ag1 Ag 0.49763 0.00341 0.76150 1.00000
Ag2 Ag 0.00341 0.49763 0.23850 1.00000
Ag3 Ag 0.53421 0.53421 0.50000 1.00000
Cl1 Cl 0.28023 0.23123 0.75863 1.00000
Cl2 Cl 0.70707 0.77263 0.75961 1.00000
Cl3 Cl 0.23123 0.28023 0.24137 1.00000
Cl4 Cl 0.77263 0.70707 0.24039 1.00000
Cl5 Cl 0.71658 0.26796 0.56671 1.00000
Cl6 Cl 0.26796 0.71658 0.43329 1.00000
Cl7 Cl 0.74232 0.26876 0.04803 1.00000
Cl8 Cl 0.26876 0.74232 0.95197 1.00000
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