K2LiS2(O2F)2
Alexandria ALEXAlex-ID: agm005258662 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2E4_28_spg1
K2SO4 KSO3F S8O KF LiF
2023-04-21 13:10:26.294839
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005258662).
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 agm005258662
data_agm005258662
_cell_length_a 5.45383
_cell_length_b 5.06765
_cell_length_c 7.68399
_cell_angle_alpha 70.98700
_cell_angle_beta 94.01185
_cell_angle_gamma 92.57675
_cell_volume 200.23746
_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
K1 K 0.15631 0.81485 0.43297 1.00000
K2 K 0.65939 0.27473 0.56638 1.00000
Li1 Li 0.62355 0.90812 0.15175 1.00000
S1 S 0.94232 0.40307 0.08664 1.00000
S2 S 0.19077 0.85442 0.87295 1.00000
O1 O 0.37923 0.74470 0.78859 1.00000
O2 O 0.79407 0.56511 0.17126 1.00000
O3 O 0.78977 0.25219 0.97802 1.00000
O4 O 0.28958 0.93658 0.03391 1.00000
F1 F 0.64782 0.87863 0.39520 1.00000
F2 F 0.15682 0.26343 0.55936 1.00000
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