Cu(AuS3)2
Alexandria ALEXAlex-ID: agm005669470 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_3239_spg2
CuS2 AuS AuS13
2023-07-09 18:46:49.753482
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005669470).
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 agm005669470
data_agm005669470
_cell_length_a 6.44719
_cell_length_b 6.29916
_cell_length_c 8.25722
_cell_angle_alpha 119.63370
_cell_angle_beta 63.88565
_cell_angle_gamma 79.40758
_cell_volume 224.44536
_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 0.00000 1.00000 0.99999 1.00000
Au1 Au 0.50599 0.35322 0.63938 1.00000
Au2 Au 0.49401 0.64677 0.36060 1.00000
S1 S 0.81544 0.09929 0.65128 1.00000
S2 S 0.82127 0.63047 0.05499 1.00000
S3 S 0.81279 0.37692 0.35752 1.00000
S4 S 0.17874 0.36955 0.94500 1.00000
S5 S 0.18454 0.90071 0.34872 1.00000
S6 S 0.18721 0.62308 0.64246 1.00000
Get direct link