HS5F
Alexandria ALEXAlex-ID: agm005755959 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC5_675_spg1
HS8 S5F HF
2023-07-10 05:22:30.745168
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005755959).
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 agm005755959
data_agm005755959
_cell_length_a 9.77082
_cell_length_b 6.94127
_cell_length_c 7.28744
_cell_angle_alpha 107.04480
_cell_angle_beta 140.42425
_cell_angle_gamma 103.68638
_cell_volume 195.88555
_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
H1 H 0.54176 0.35369 0.29739 1.00000
S1 S 0.72900 0.23856 0.20076 1.00000
S2 S 0.28934 0.53876 0.39858 1.00000
S3 S 0.56322 0.16534 0.27766 1.00000
S4 S 0.58824 0.67649 0.93119 1.00000
S5 S 0.34912 0.93647 0.55667 1.00000
F1 F 0.47001 0.62139 0.39915 1.00000
Get direct link