Li3SbS3
Alexandria ALEXAlex-ID: agm005240442 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_787_spg14
LiSbS2 Li2S
2024-10-05 21:32:38
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005240442).
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 agm005240442
data_agm005240442
_cell_length_a 15.18926
_cell_length_b 6.11033
_cell_length_c 8.71414
_cell_angle_alpha 47.82024
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 599.33285
_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 0.67772 0.72126 0.48126 1.00000
Li2 Li 0.42800 0.92172 0.17860 1.00000
Li3 Li 0.92800 0.07828 0.32140 1.00000
Li4 Li 0.17772 0.27874 0.01874 1.00000
Li5 Li 0.73545 0.05148 0.07165 1.00000
Li6 Li 0.23545 0.94852 0.42835 1.00000
Li7 Li 0.76455 0.05148 0.57165 1.00000
Li8 Li 0.26455 0.94852 0.92835 1.00000
Li9 Li 0.82228 0.72126 0.98126 1.00000
Li10 Li 0.07200 0.92172 0.67860 1.00000
Li11 Li 0.57200 0.07828 0.82140 1.00000
Li12 Li 0.32228 0.27874 0.51874 1.00000
Sb1 Sb 0.91049 0.32633 0.75908 1.00000
Sb2 Sb 0.41049 0.67367 0.74092 1.00000
Sb3 Sb 0.58951 0.32633 0.25908 1.00000
Sb4 Sb 0.08951 0.67367 0.24092 1.00000
S1 S 0.89513 0.90048 0.13419 1.00000
S2 S 0.25156 0.74225 0.27516 1.00000
S3 S 0.41078 0.22585 0.78423 1.00000
S4 S 0.75156 0.25775 0.22484 1.00000
S5 S 0.91078 0.77415 0.71577 1.00000
S6 S 0.39513 0.09952 0.36581 1.00000
S7 S 0.60487 0.90048 0.63419 1.00000
S8 S 0.08922 0.22585 0.28423 1.00000
S9 S 0.24844 0.74225 0.77516 1.00000
S10 S 0.58922 0.77415 0.21577 1.00000
S11 S 0.74844 0.25775 0.72484 1.00000
S12 S 0.10487 0.09952 0.86581 1.00000
