CuAgS5
Alexandria ALEXAlex-ID: agm005756519 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC5_1294_spg15
AgS2 AgS9 CuS
2023-07-15 05:53:12.410063
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005756519).
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 agm005756519
data_agm005756519
_cell_length_a 8.87592
_cell_length_b 8.68769
_cell_length_c 8.68769
_cell_angle_alpha 150.82397
_cell_angle_beta 89.87787
_cell_angle_gamma 89.87786
_cell_volume 326.56979
_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 0.75000 0.35483 0.14517 1.00000
Cu2 Cu 0.25000 0.64517 0.85483 1.00000
Ag1 Ag 0.00000 0.00000 0.00000 1.00000
Ag2 Ag 0.50000 0.50000 0.50000 1.00000
S1 S 0.57640 0.01119 0.79782 1.00000
S2 S 0.60976 0.81680 0.16278 1.00000
S3 S 0.07640 0.29782 0.51119 1.00000
S4 S 0.75000 0.65955 0.84045 1.00000
S5 S 0.89024 0.33722 0.68320 1.00000
S6 S 0.10976 0.66278 0.31680 1.00000
S7 S 0.25000 0.34045 0.15955 1.00000
S8 S 0.92360 0.70218 0.48881 1.00000
S9 S 0.39024 0.18320 0.83722 1.00000
S10 S 0.42360 0.98881 0.20218 1.00000
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