CuAgCl2
Alexandria ALEXAlex-ID: agm005603511 · Space group: Pmn2_1 (#31)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_7709_spg31
Cu3Cl4 AgCl Cu
2023-07-14 16:13:27.222905
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005603511).
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
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# CIF generated by HEAS from Alexandria entry agm005603511
data_agm005603511
_cell_length_a 3.93988
_cell_length_b 6.30843
_cell_length_c 7.31948
_cell_angle_alpha 89.96183
_cell_angle_beta 89.96373
_cell_angle_gamma 89.73953
_cell_volume 181.91959
_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
Cu1 Cu 0.19986 0.87580 0.19571 1.00000
Cu2 Cu 0.69987 0.37589 0.02013 1.00000
Ag1 Ag 0.19916 0.81888 0.79891 1.00000
Ag2 Ag 0.69890 0.31821 0.41737 1.00000
Cl1 Cl 0.70317 0.67581 0.20882 1.00000
Cl2 Cl 0.70205 0.56325 0.73111 1.00000
Cl3 Cl 0.20170 0.06294 0.48469 1.00000
Cl4 Cl 0.20314 0.17596 0.00714 1.00000
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