AgS3
Alexandria ALEXAlex-ID: agm005543535 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3_498_spg71
AgS2 AgS9
2023-05-28 20:06:44.859298
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005543535).
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 agm005543535
data_agm005543535
_cell_length_a 4.07663
_cell_length_b 5.17302
_cell_length_c 8.77514
_cell_angle_alpha 107.14364
_cell_angle_beta 103.43438
_cell_angle_gamma 89.99098
_cell_volume 171.52809
_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 0.18787 0.18788 0.37574 1.00000
Ag2 Ag 0.81213 0.81212 0.62426 1.00000
S1 S 0.35830 0.16374 0.71662 1.00000
S2 S 0.64167 0.44714 0.28336 1.00000
S3 S 0.00017 0.31763 1.00000 1.00000
S4 S 0.99983 0.68237 0.00000 1.00000
S5 S 0.35833 0.55286 0.71664 1.00000
S6 S 0.64170 0.83626 0.28338 1.00000
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