Li6SbS2

Li6SbS2 is a metastable, semiconducting lithium-antimony-sulfide compound investigated for its potential utility in advanced solid-state energy storage systems.

LiSSb
Crystal structure of Li6SbS2
Ground-state structure · Materials Project
Overview

About Li6SbS2

Li6SbS2 is a complex lithium-antimony-sulfide compound characterized by its semiconducting electronic nature. As a metastable phase, it represents a unique structural configuration within the landscape of lithium-based chalcogenides, offering researchers a distinct platform for studying ion transport and electronic behavior.

This material is of significant interest in the field of solid-state ionics and energy materials science. Its specific composition and metastable state make it a subject of investigation for potential applications in next-generation battery technologies, where structural stability and electronic properties are critical for performance.

At a glance

Key Properties

Cross-validated computational properties for Li6SbS2, aggregated across 3 databases.

Band Gap

0.80–1.14 eV
Range across DFT structures

Energy Above Hull

0.064 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

10
3 databases, 3 space groups
Uses

Applications

Where Li6SbS2 is used.

Solid-state battery researchLithium-ion conductor developmentMaterials science research
Reference

Frequently Asked Questions

Common questions about Li6SbS2, answered from cross-validated data.

What is Li6SbS2?

Li6SbS2 is a metastable, semiconducting lithium-antimony-sulfide compound investigated for its potential utility in advanced solid-state energy storage systems.

More questions
What is Li6SbS2 used for?
Li6SbS2 is used in solid-state battery research, lithium-ion conductor development, and materials science research.
What is the band gap of Li6SbS2?
Li6SbS2 has a DFT-computed band gap of 0.80–1.14 eV across 10 reported structures.
Is Li6SbS2 a metal, semiconductor, or insulator?
With a band gap up to 1.14 eV it is a semiconductor.
Is Li6SbS2 thermodynamically stable?
Li6SbS2 has a lowest energy above hull of 0.064 eV/atom (metastable).
How many polymorphs of Li6SbS2 are known?
10 structures of Li6SbS2 are reported across 3 databases, spanning 3 distinct space groups.
What elements does Li6SbS2 contain?
Li6SbS2 contains Li, S, and Sb (3 elements).
Where does the data for Li6SbS2 come from?
Li6SbS2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a specialized lithium-antimony-sulfide, Li6SbS2 serves as a unique entry in the broader family of lithium-sulfur-based materials. While many compounds in this class are explored for their ionic conductivity, this specific stoichiometry provides a distinct structural framework that differentiates it from more common, highly stable lithium sulfides.

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

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