Li(S3I4)2
Alexandria ALEXAlex-ID: agm072851603 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_635_spg1
S5I3 I LiI
2024-10-11 11:26:42.708649
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072851603).
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 agm072851603
data_agm072851603
_cell_length_a 6.36826
_cell_length_b 11.45275
_cell_length_c 12.25582
_cell_angle_alpha 61.67163
_cell_angle_beta 61.74920
_cell_angle_gamma 67.69098
_cell_volume 679.10946
_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 0.88830 0.05171 0.97879 1.00000
S1 S 0.28410 0.09832 0.42696 1.00000
S2 S 0.81221 0.26918 0.59353 1.00000
S3 S 0.83437 0.94800 0.66850 1.00000
S4 S 0.60174 0.13571 0.64855 1.00000
S5 S 0.08354 0.96114 0.47981 1.00000
S6 S 0.04713 0.28255 0.40168 1.00000
I1 I 0.80977 0.87473 0.24390 1.00000
I2 I 0.14419 0.89636 0.82765 1.00000
I3 I 0.49505 0.26661 0.95083 1.00000
I4 I 0.24647 0.65434 0.18339 1.00000
I5 I 0.16942 0.08338 0.09204 1.00000
I6 I 0.66756 0.44740 0.13060 1.00000
I7 I 0.05771 0.53491 0.55103 1.00000
I8 I 0.85844 0.49564 0.82273 1.00000
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