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