Cd(S3F)2
Alexandria ALEXAlex-ID: agm005672756 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_73_spg2
SF4 CdS18 CdF2
2023-07-07 02:23:42.653206
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005672756).
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
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# CIF generated by HEAS from Alexandria entry agm005672756
data_agm005672756
_cell_length_a 3.73972
_cell_length_b 7.25692
_cell_length_c 7.25577
_cell_angle_alpha 101.23178
_cell_angle_beta 88.66519
_cell_angle_gamma 88.57570
_cell_volume 193.00270
_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 0.00000 0.00000 0.00000 1.00000
S1 S 0.89385 0.54564 0.25174 1.00000
S2 S 0.10615 0.45436 0.74826 1.00000
S3 S 0.85141 0.69989 0.70016 1.00000
S4 S 0.89471 0.25171 0.54526 1.00000
S5 S 0.10529 0.74829 0.45474 1.00000
S6 S 0.14859 0.30011 0.29984 1.00000
F1 F 0.50034 0.88088 0.11952 1.00000
F2 F 0.49966 0.11912 0.88048 1.00000
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