Li3N

Lithium nitride · trilithium nitride

Lithium nitride is a stable, semiconducting binary compound primarily studied for its potential as a solid-state electrolyte in advanced battery systems.

LiN
Crystal structure of Li3N
Ground-state structure · Materials Project
Overview

About Lithium nitride

Lithium nitride is a binary compound composed of lithium and nitrogen that exists as a thermodynamically stable phase on the convex hull. As a semiconducting material, it has garnered significant attention in materials science research due to its unique structural characteristics and potential for ionic conductivity.

This compound is frequently investigated for its role in energy storage and solid-state electrolyte technologies. Its ability to facilitate lithium-ion transport makes it a subject of interest for advanced battery architectures and chemical synthesis applications.

At a glance

Key Properties

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

Band Gap

0.98–1.22 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

17
3 databases, 5 space groups
Synthesis

Synthesis Routes

Literature-extracted synthesis procedures targeting Li3N.

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
Solid State
Procedure available · ceder_solid_state
Uses

Applications

Where Lithium nitride is used.

Solid-state electrolyte researchLithium-ion battery developmentChemical synthesis reagentHydrogen storage research
Reference

Frequently Asked Questions

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

What is Li3N?

Lithium nitride is a stable, semiconducting binary compound primarily studied for its potential as a solid-state electrolyte in advanced battery systems.

More questions
What is Li3N used for?
Lithium nitride (Li3N) is used in solid-state electrolyte research, lithium-ion battery development, chemical synthesis reagent, and hydrogen storage research.
What is the band gap of Li3N?
Lithium nitride (Li3N) has a DFT-computed band gap of 0.98–1.22 eV across 17 reported structures.
Is Li3N a metal, semiconductor, or insulator?
With a band gap up to 1.22 eV it is a semiconductor.
Is Li3N thermodynamically stable?
Yes — Lithium nitride (Li3N) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Li3N are known?
17 structures of Li3N are reported across 3 databases, spanning 5 distinct space groups.
How is Li3N synthesized?
Literature-reported routes for Li3N include sol gel, solid state (10 procedures documented).
What elements does Li3N contain?
Lithium nitride (Li3N) contains Li and N (2 elements).
Where does the data for Li3N come from?
Li3N data is cross-referenced from latticegraph.
Comparison

How It Compares

As a foundational binary nitride, lithium nitride serves as a critical reference point for understanding the behavior of alkali metal nitrides. It is distinguished by its high degree of thermodynamic stability and its well-documented structural diversity, which distinguishes it from more complex or less stable ternary nitride systems.

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

Analyze Li3N in the Lattice Graph platform

Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.

Explore the Platform →