Cu2Ag2Se3
Alexandria ALEXAlex-ID: agm005559986 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_591_spg15
Ag2Se CuSe
2023-06-06 22:31:43.660883
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005559986).
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 agm005559986
data_agm005559986
_cell_length_a 6.88798
_cell_length_b 10.65064
_cell_length_c 10.65064
_cell_angle_alpha 73.05212
_cell_angle_beta 62.30915
_cell_angle_gamma 62.30915
_cell_volume 609.76652
_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 0.58198 0.38087 0.21568 1.00000
Cu2 Cu 0.59087 0.07279 0.53981 1.00000
Cu3 Cu 0.08198 0.21568 0.38087 1.00000
Cu4 Cu 0.09087 0.53981 0.07279 1.00000
Cu5 Cu 0.90913 0.46019 0.92721 1.00000
Cu6 Cu 0.91802 0.78432 0.61913 1.00000
Cu7 Cu 0.40913 0.92721 0.46019 1.00000
Cu8 Cu 0.41802 0.61913 0.78432 1.00000
Ag1 Ag 0.90577 0.10238 0.25177 1.00000
Ag2 Ag 0.40577 0.25177 0.10238 1.00000
Ag3 Ag 0.75000 0.16484 0.83516 1.00000
Ag4 Ag 0.75000 0.67178 0.32822 1.00000
Ag5 Ag 0.25000 0.32822 0.67178 1.00000
Ag6 Ag 0.25000 0.83516 0.16484 1.00000
Ag7 Ag 0.59423 0.74823 0.89762 1.00000
Ag8 Ag 0.09423 0.89762 0.74823 1.00000
Se1 Se 0.65632 0.29867 0.43665 1.00000
Se2 Se 0.66017 0.59552 0.14281 1.00000
Se3 Se 0.15632 0.43665 0.29867 1.00000
Se4 Se 0.16017 0.14281 0.59552 1.00000
Se5 Se 0.86612 0.23353 0.00922 1.00000
Se6 Se 0.13388 0.76647 0.99078 1.00000
Se7 Se 0.83983 0.85719 0.40448 1.00000
Se8 Se 0.84368 0.56335 0.70133 1.00000
Se9 Se 0.36612 0.00922 0.23353 1.00000
Se10 Se 0.33983 0.40448 0.85719 1.00000
Se11 Se 0.34368 0.70133 0.56335 1.00000
Se12 Se 0.63388 0.99078 0.76647 1.00000
