Li3SbS3

Li3SbS3 is a stable, semiconducting ternary sulfide compound composed of lithium, antimony, and sulfur.

LiSSb
Crystal structure of Li3SbS3
Ground-state structure · Materials Project
Overview

About Li3SbS3

Li3SbS3 is a ternary sulfide compound composed of lithium, antimony, and sulfur. As a thermodynamically stable material residing on the convex hull, it exhibits a robust structural framework that is of significant interest for solid-state ionics research.

This semiconducting material is characterized by its distinct electronic properties, which are essential for its potential integration into next-generation energy storage systems. Its stability and composition make it a noteworthy subject for ongoing investigations into high-performance battery electrolytes.

At a glance

Key Properties

Cross-validated computational properties for Li3SbS3, aggregated across 3 databases.

Band Gap

1.88–2.75 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

27
3 databases, 5 space groups
Uses

Applications

Where Li3SbS3 is used.

Solid-state battery researchElectrochemical energy storageSolid-state electrolyte development
Reference

Frequently Asked Questions

Common questions about Li3SbS3, answered from cross-validated data.

What is Li3SbS3?

Li3SbS3 is a stable, semiconducting ternary sulfide compound composed of lithium, antimony, and sulfur.

More questions
What is Li3SbS3 used for?
Li3SbS3 is used in solid-state battery research, electrochemical energy storage, and solid-state electrolyte development.
What is the band gap of Li3SbS3?
Li3SbS3 has a DFT-computed band gap of 1.88–2.75 eV across 27 reported structures.
Is Li3SbS3 a metal, semiconductor, or insulator?
With a band gap up to 2.75 eV it is a semiconductor.
Is Li3SbS3 thermodynamically stable?
Yes — Li3SbS3 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Li3SbS3 are known?
27 structures of Li3SbS3 are reported across 3 databases, spanning 5 distinct space groups.
What elements does Li3SbS3 contain?
Li3SbS3 contains Li, S, and Sb (3 elements).
Where does the data for Li3SbS3 come from?
Li3SbS3 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a stable ternary sulfide, Li3SbS3 serves as a foundational example of lithium-antimony-sulfur chemistry. Within the broader landscape of complex sulfides, it represents a well-defined phase that provides a benchmark for understanding how anion-coordinated frameworks influence electronic and ionic transport in semiconducting materials.

Data sources & attribution
  • latticegraph — Lattice Graph Materials Intelligence Platform

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