Co(S3F)2
Alexandria ALEXAlex-ID: agm005672934 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_2234_spg2
CoS7 S5F CoF2
2023-07-07 04:12:56.182032
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005672934).
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 agm005672934
data_agm005672934
_cell_length_a 4.13984
_cell_length_b 7.30167
_cell_length_c 7.15360
_cell_angle_alpha 108.23946
_cell_angle_beta 98.34841
_cell_angle_gamma 77.94436
_cell_volume 200.10049
_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
Co1 Co 0.00000 0.00000 0.00000 1.00000
S1 S 0.81832 0.52447 0.24022 1.00000
S2 S 0.18168 0.47553 0.75978 1.00000
S3 S 0.84198 0.71654 0.71322 1.00000
S4 S 0.00897 0.25081 0.54044 1.00000
S5 S 0.99103 0.74919 0.45956 1.00000
S6 S 0.15802 0.28346 0.28678 1.00000
F1 F 0.37463 0.84676 0.07875 1.00000
F2 F 0.62537 0.15324 0.92125 1.00000
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