LiN3

Lithium azide · lithium trinitride

Lithium azide is a stable, insulating inorganic salt frequently utilized as a source of reactive nitrogen in chemical synthesis.

LiN
Crystal structure of LiN3
Ground-state structure · Materials Project
Overview

About Lithium azide

Lithium azide is a distinct inorganic compound characterized by its insulating electronic nature and high thermodynamic stability. As a member of the azide family, it serves as a critical nitrogen-rich precursor in various synthetic pathways and energetic material research.

Its structural landscape is remarkably diverse, supported by a vast collection of reported configurations across major materials databases. This extensive data availability underscores its importance as a fundamental subject for studying ionic bonding and nitrogen-based chemistry.

At a glance

Key Properties

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

Band Gap

3.64 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

87
3 databases, 16 space groups
Uses

Applications

Where Lithium azide is used.

Organic synthesisEnergetic materials researchChemical precursor for nitrogen-rich compounds
Reference

Frequently Asked Questions

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

What is LiN3?

Lithium azide is a stable, insulating inorganic salt frequently utilized as a source of reactive nitrogen in chemical synthesis.

More questions
What is LiN3 used for?
Lithium azide (LiN3) is used in organic synthesis, energetic materials research, and chemical precursor for nitrogen-rich compounds.
What is the band gap of LiN3?
Lithium azide (LiN3) has a DFT-computed band gap of 3.64 eV across 87 reported structures.
Is LiN3 a metal, semiconductor, or insulator?
With a wide band gap up to 3.64 eV it is an insulator / wide-band-gap material.
Is LiN3 thermodynamically stable?
Yes — Lithium azide (LiN3) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of LiN3 are known?
87 structures of LiN3 are reported across 3 databases, spanning 16 distinct space groups.
What elements does LiN3 contain?
Lithium azide (LiN3) contains Li and N (2 elements).
Where does the data for LiN3 come from?
LiN3 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a standalone representative of its chemical class in this context, lithium azide serves as a primary reference point for understanding the behavior of alkali metal azides. Its position on the convex hull establishes it as a robust benchmark for evaluating the stability and reactivity of related nitrogen-rich ionic solids.

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

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