Cd2SbS4
Alexandria ALEXAlex-ID: agm003453043 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_731_spg63
SbS2 CdS
2022-02-19 22:36:16.313683
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003453043).
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 agm003453043
data_agm003453043
_cell_length_a 3.91411
_cell_length_b 6.78268
_cell_length_c 12.02455
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 106.77039
_cell_volume 305.65249
_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
Cd1 Cd 0.13360 0.26720 0.43816 1.00000
Cd2 Cd 0.86640 0.73280 0.93816 1.00000
Cd3 Cd 0.13360 0.26720 0.06184 1.00000
Cd4 Cd 0.86640 0.73280 0.56184 1.00000
Sb1 Sb 0.60160 0.20320 0.75000 1.00000
Sb2 Sb 0.39840 0.79680 0.25000 1.00000
S1 S 0.77441 0.54882 0.12862 1.00000
S2 S 0.77441 0.54882 0.37138 1.00000
S3 S 0.22559 0.45118 0.87138 1.00000
S4 S 0.22559 0.45118 0.62862 1.00000
S5 S 0.96297 0.92594 0.75000 1.00000
S6 S 0.03703 0.07406 0.25000 1.00000
S7 S 0.50000 0.00000 0.00000 1.00000
S8 S 0.50000 0.00000 0.50000 1.00000
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