LiS4F
Alexandria ALEXAlex-ID: agm005751966 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_3111_spg15
SF LiS13 LiF
2023-07-29 02:34:51.955977
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005751966).
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 agm005751966
data_agm005751966
_cell_length_a 6.65464
_cell_length_b 3.78149
_cell_length_c 12.03949
_cell_angle_alpha 80.95973
_cell_angle_beta 89.28107
_cell_angle_gamma 85.38131
_cell_volume 298.23250
_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
Li1 Li 0.25000 0.11785 0.76431 1.00000
Li2 Li 0.75000 0.88215 0.23569 1.00000
S1 S 0.84596 0.23908 0.86823 1.00000
S2 S 0.65404 0.89269 0.86823 1.00000
S3 S 0.65393 0.00634 0.64151 1.00000
S4 S 0.34607 0.99366 0.35849 1.00000
S5 S 0.15393 0.64784 0.35850 1.00000
S6 S 0.34596 0.10731 0.13177 1.00000
S7 S 0.84607 0.35216 0.64150 1.00000
S8 S 0.15404 0.76092 0.13177 1.00000
F1 F 0.75000 0.38201 0.23598 1.00000
F2 F 0.25000 0.61799 0.76402 1.00000
Get direct link