Cr2Si(AgS3)2
Alexandria ALEXAlex-ID: agm004583151 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D6_259_spg12
CrS2 SiS2 Ag
2022-06-24 23:00:43.956866
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004583151).
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 agm004583151
data_agm004583151
_cell_length_a 5.82936
_cell_length_b 5.82936
_cell_length_c 7.28598
_cell_angle_alpha 84.48205
_cell_angle_beta 84.48205
_cell_angle_gamma 116.97946
_cell_volume 216.87670
_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
Cr1 Cr 0.35598 0.64402 0.50000 1.00000
Cr2 Cr 0.64402 0.35598 0.50000 1.00000
Si1 Si 0.00000 0.00000 0.50000 1.00000
Ag1 Ag 0.84496 0.15504 0.00000 1.00000
Ag2 Ag 0.15504 0.84496 0.00000 1.00000
S1 S 0.64810 0.64810 0.69103 1.00000
S2 S 0.95749 0.29262 0.66973 1.00000
S3 S 0.35190 0.35190 0.30897 1.00000
S4 S 0.29262 0.95749 0.66973 1.00000
S5 S 0.04251 0.70738 0.33027 1.00000
S6 S 0.70738 0.04251 0.33027 1.00000
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