Li2S

Lithium sulfide · Lithium sulphide

Lithium sulfide is a stable, insulating compound widely researched as a key material for high-performance solid-state battery electrolytes.

LiS
Crystal structure of Li2S
Ground-state structure · Materials Project
Overview

About Lithium sulfide

Lithium sulfide is a binary compound that functions as a wide-gap insulator. Its status as a thermodynamically stable phase on the convex hull makes it a robust candidate for chemical synthesis and materials engineering applications. Given its structural diversity, it remains a highly scrutinized subject in solid-state chemistry research. The material is primarily valued for its role in energy storage systems. Its electronic properties and inherent stability allow it to serve as a foundational building block for developing next-generation solid-state electrolytes and high-capacity battery architectures.

At a glance

Key Properties

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

Band Gap

1.88–3.90 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

49
3 databases, 12 space groups
Synthesis

Synthesis Routes

Literature-extracted synthesis procedures targeting Li2S.

Sol Gel
Procedure available · ceder_sol_gel
Sol Gel
Procedure available · ceder_sol_gel
Sol Gel
Procedure available · ceder_sol_gel
Sol Gel
Procedure available · ceder_sol_gel
Sol Gel
Procedure available · ceder_sol_gel
Solid State
Procedure available · ceder_solid_state
Uses

Applications

Where Lithium sulfide is used.

Solid-state battery electrolytesLithium-sulfur battery researchChemical synthesis precursor
Intellectual Property

Patent Landscape

2 patents reference Li2S or close compositional variants.

PatentTitleAssigneeGranted
9496545Li2S@C-coated lithium metal product, method for the production thereof, and use
10170756Li2S batteries having high capacity, high loading, and high coulombic efficiency
Reference

Frequently Asked Questions

Common questions about Lithium sulfide, answered from cross-validated data.

What is Li2S?

Lithium sulfide is a stable, insulating compound widely researched as a key material for high-performance solid-state battery electrolytes.

More questions
What is Li2S used for?
Lithium sulfide (Li2S) is used in solid-state battery electrolytes, lithium-sulfur battery research, and chemical synthesis precursor.
What is the band gap of Li2S?
Lithium sulfide (Li2S) has a DFT-computed band gap of 1.88–3.90 eV across 49 reported structures.
Is Li2S a metal, semiconductor, or insulator?
With a wide band gap up to 3.90 eV it is an insulator / wide-band-gap material.
Is Li2S thermodynamically stable?
Yes — Lithium sulfide (Li2S) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Li2S are known?
49 structures of Li2S are reported across 3 databases, spanning 12 distinct space groups.
How is Li2S synthesized?
Literature-reported routes for Li2S include sol gel, solid state (10 procedures documented).
What elements does Li2S contain?
Lithium sulfide (Li2S) contains Li and S (2 elements).
Where does the data for Li2S come from?
Li2S data is cross-referenced from latticegraph.
Comparison

How It Compares

As a fundamental binary sulfide, lithium sulfide serves as a benchmark material for understanding lithium-based ionic conductivity in solid-state systems, providing a stable reference point for the development of more complex multi-component sulfide electrolytes.

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

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