S4F
Alexandria ALEXAlex-ID: agm005543933 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4_656_spg2
SF S5F
2023-05-28 23:51:13.879423
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005543933).
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 agm005543933
data_agm005543933
_cell_length_a 5.63936
_cell_length_b 5.16635
_cell_length_c 7.56154
_cell_angle_alpha 100.90168
_cell_angle_beta 45.21117
_cell_angle_gamma 118.39086
_cell_volume 133.74101
_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
S1 S 0.18936 0.40521 0.35779 1.00000
S2 S 0.63471 0.61959 0.30497 1.00000
S3 S 0.81064 0.59479 0.64221 1.00000
S4 S 0.36529 0.38041 0.69503 1.00000
F1 F 0.00000 0.00000 0.00000 1.00000
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