Li5SbS4

Li5SbS4 is a metastable semiconducting sulfide compound containing lithium, antimony, and sulfur that is primarily studied for its structural diversity.

LiSSb
Crystal structure of Li5SbS4
Ground-state structure · Materials Project
Overview

About Li5SbS4

Li5SbS4 is a complex sulfide compound composed of lithium, antimony, and sulfur. As a semiconducting material, it represents a unique intersection of elements that are frequently investigated for their potential in solid-state ion transport applications.

Despite its metastable nature, the compound has garnered significant interest within materials research, evidenced by numerous reported structural variations across multiple databases. Its electronic character makes it a subject of ongoing study for those seeking to understand the fundamental behavior of lithium-rich chalcogenides.

At a glance

Key Properties

Cross-validated computational properties for Li5SbS4, aggregated across 3 databases.

Band Gap

0.82–1.78 eV
Range across DFT structures

Energy Above Hull

0.051 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

18
3 databases, 5 space groups
Uses

Applications

Where Li5SbS4 is used.

Solid-state electrolyte researchLithium-ion battery materials development
Reference

Frequently Asked Questions

Common questions about Li5SbS4, answered from cross-validated data.

What is Li5SbS4?

Li5SbS4 is a metastable semiconducting sulfide compound containing lithium, antimony, and sulfur that is primarily studied for its structural diversity.

More questions
What is Li5SbS4 used for?
Li5SbS4 is used in solid-state electrolyte research and lithium-ion battery materials development.
What is the band gap of Li5SbS4?
Li5SbS4 has a DFT-computed band gap of 0.82–1.78 eV across 18 reported structures.
Is Li5SbS4 a metal, semiconductor, or insulator?
With a band gap up to 1.78 eV it is a semiconductor.
Is Li5SbS4 thermodynamically stable?
Li5SbS4 has a lowest energy above hull of 0.051 eV/atom (metastable).
How many polymorphs of Li5SbS4 are known?
18 structures of Li5SbS4 are reported across 3 databases, spanning 5 distinct space groups.
What elements does Li5SbS4 contain?
Li5SbS4 contains Li, S, and Sb (3 elements).
Where does the data for Li5SbS4 come from?
Li5SbS4 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a distinct member of the lithium-antimony-sulfur system, Li5SbS4 serves as a critical reference point for understanding the phase landscape of complex sulfide semiconductors. Its metastable state highlights the delicate balance of atomic arrangements required to stabilize these materials for practical utility.

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

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