CeAg2S3
Alexandria ALEXAlex-ID: agm005679855 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_3_spg65
Ag2S Ce3AgS6 CeS3
2023-08-25 03:43:27.747695
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005679855).
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 agm005679855
data_agm005679855
_cell_length_a 4.22486
_cell_length_b 5.50568
_cell_length_c 6.59798
_cell_angle_alpha 114.65953
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 139.47753
_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
Ce1 Ce 0.49916 0.50000 0.50000 1.00000
Ag1 Ag 0.00099 0.86462 0.22924 1.00000
Ag2 Ag 0.00099 0.13538 0.77076 1.00000
S1 S 0.99936 0.35158 0.20316 1.00000
S2 S 0.99936 0.64842 0.79684 1.00000
S3 S 0.50013 0.00000 0.50000 1.00000
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