LiI

Lithium iodide · LiI

Lithium iodide is a stable, insulating salt widely used in electrochemical devices and chemical synthesis.

ILi
Crystal structure of LiI
Ground-state structure · Materials Project
Overview

About Lithium iodide

Lithium iodide is a robust, thermodynamically stable inorganic compound characterized by its insulating electronic nature. As a wide-band-gap material, it serves as a foundational component in various electrochemical systems where stable ionic conductivity is required. Its structural reliability makes it a subject of extensive research across multiple crystallographic databases. The compound is primarily utilized in specialized battery technologies and as a reagent in organic synthesis, benefiting from its unique chemical reactivity and stability profile. Its ability to maintain structural integrity under diverse conditions underscores its importance in high-performance material science applications.

At a glance

Key Properties

Cross-validated computational properties for Lithium iodide, aggregated across 4 databases.

Band Gap

4.23–4.38 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

106
4 databases, 20 space groups
Synthesis

Synthesis Routes

Literature-extracted synthesis procedures targeting LiI.

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

Applications

Where Lithium iodide is used.

Solid-state electrolytesLithium-iodine batteriesOrganic synthesis reagentScintillation detectors
Intellectual Property

Patent Landscape

1 patent reference LiI or close compositional variants.

PatentTitleAssigneeGranted
7722988All-temperature LiFeS2 battery with ether and low concentration LiI electrolyte
Reference

Frequently Asked Questions

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

What is LiI?

Lithium iodide is a stable, insulating salt widely used in electrochemical devices and chemical synthesis.

More questions
What is LiI used for?
Lithium iodide (LiI) is used in solid-state electrolytes, lithium-iodine batteries, organic synthesis reagent, and scintillation detectors.
What is the band gap of LiI?
Lithium iodide (LiI) has a DFT-computed band gap of 4.23–4.38 eV across 106 reported structures.
Is LiI a metal, semiconductor, or insulator?
With a wide band gap up to 4.38 eV it is an insulator / wide-band-gap material.
Is LiI thermodynamically stable?
Yes — Lithium iodide (LiI) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of LiI are known?
106 structures of LiI are reported across 4 databases, spanning 20 distinct space groups.
How is LiI synthesized?
Literature-reported routes for LiI include sol gel, solid state (5 procedures documented).
What elements does LiI contain?
Lithium iodide (LiI) contains I and Li (2 elements).
Where does the data for LiI come from?
LiI data is cross-referenced from latticegraph.
Comparison

How It Compares

As a standalone material in this context, lithium iodide represents a benchmark for stable, wide-band-gap halides. It serves as a vital reference point for understanding the fundamental behavior of lithium-based ionic conductors, providing a clear model for how electronic insulation and structural stability can be balanced in simple salt systems.

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

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