Cs2Cd3(SiS4)2
Alexandria ALEXAlex-ID: agm009240969 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3D8_44_spg2
Cs2CdSiS4 Cs2CdSi3S8 CdS
2024-03-08 03:42:13.777516
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009240969).
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 agm009240969
data_agm009240969
_cell_length_a 6.62321
_cell_length_b 10.40578
_cell_length_c 11.60805
_cell_angle_alpha 99.73717
_cell_angle_beta 64.95740
_cell_angle_gamma 138.28618
_cell_volume 467.77206
_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
Cs1 Cs 0.38787 0.77518 0.77780 1.00000
Cs2 Cs 0.61213 0.22482 0.22220 1.00000
Cd1 Cd 0.08709 0.34689 0.54327 1.00000
Cd2 Cd 0.91291 0.65311 0.45673 1.00000
Cd3 Cd 0.00000 0.00000 0.00000 1.00000
Si1 Si 0.45440 0.34334 0.72938 1.00000
Si2 Si 0.54560 0.65666 0.27062 1.00000
S1 S 0.36378 0.74808 0.24047 1.00000
S2 S 0.63622 0.25192 0.75953 1.00000
S3 S 0.81636 0.65753 0.69348 1.00000
S4 S 0.18364 0.34247 0.30652 1.00000
S5 S 0.00763 0.81186 0.09265 1.00000
S6 S 0.99237 0.18814 0.90735 1.00000
S7 S 0.34300 0.25065 0.56350 1.00000
S8 S 0.65700 0.74935 0.43650 1.00000
Get direct link