Ag4S8Cl
Alexandria ALEXAlex-ID: agm097900892 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_1354_spg6
AgS2 AgS9 AgCl
2025-06-19 11:03:22
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097900892).
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 agm097900892
data_agm097900892
_cell_length_a 5.23491
_cell_length_b 6.83767
_cell_length_c 10.96687
_cell_angle_alpha 59.83741
_cell_angle_beta 96.49489
_cell_angle_gamma 90.11266
_cell_volume 336.53683
_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
Ag1 Ag 0.00009 0.00003 0.00001 1.00000
Ag2 Ag 0.00002 0.50003 1.00000 1.00000
Ag3 Ag 0.99992 0.49999 0.49999 1.00000
Ag4 Ag 0.99986 0.99999 0.49998 1.00000
S1 S 0.35998 0.27853 0.18366 1.00000
S2 S 0.98604 0.62843 0.21971 1.00000
S3 S 0.64740 0.53489 0.72059 1.00000
S4 S 0.33298 0.24287 0.50123 1.00000
S5 S 0.66685 0.75698 0.49882 1.00000
S6 S 0.35264 0.46508 0.27944 1.00000
S7 S 0.01400 0.37161 0.78024 1.00000
S8 S 0.64014 0.72156 0.81630 1.00000
Cl1 Cl 0.50009 0.00002 0.00003 1.00000
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