LiSb2S3
Alexandria ALEXAlex-ID: agm005648228 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_103_spg139
Li3Sb11S18 LiSbS2 Sb
2023-08-22 11:57:15.259577
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005648228).
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 agm005648228
data_agm005648228
_cell_length_a 4.30908
_cell_length_b 3.71405
_cell_length_c 8.66207
_cell_angle_alpha 102.37951
_cell_angle_beta 104.40242
_cell_angle_gamma 89.99999
_cell_volume 130.94199
_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 0.50000 0.33964 0.00000 1.00000
Sb1 Sb 0.15713 0.01018 0.31426 1.00000
Sb2 Sb 0.84287 0.69592 0.68574 1.00000
S1 S 1.00000 0.91679 0.00000 1.00000
S2 S 0.66325 0.55345 0.32650 1.00000
S3 S 0.33675 0.22696 0.67350 1.00000
Get direct link