Li3NbO4

Li3NbO4 is a stable, insulating lithium oxide compound used primarily in fundamental materials research.

Crystal structure of Li3NbO4
Ground-state structure · Materials Project
Overview

About Li3NbO4

Li3NbO4 is a thermodynamically stable lithium oxide that functions as a wide-band-gap insulator. Its position on the convex hull signifies high structural integrity, making it a reliable subject for fundamental studies in solid-state chemistry and materials science.

With multiple reported structural variations across major databases, this compound serves as a key reference point for understanding lithium-niobium-oxygen interactions. Its insulating nature distinguishes it from more conductive lithium-based oxides, positioning it as a specialized component in material research.

At a glance

Key Properties

Cross-validated computational properties for Li3NbO4, aggregated across 3 databases.

Band Gap

1.08–3.84 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

10
3 databases, 2 space groups
Synthesis

Synthesis Routes

Literature-extracted synthesis procedures targeting Li3NbO4.

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
Solid State
Procedure available · ceder_solid_state
Uses

Applications

Where Li3NbO4 is used.

Solid-state electrolyte researchFundamental materials science studiesCeramic material development
Reference

Frequently Asked Questions

Common questions about Li3NbO4, answered from cross-validated data.

What is Li3NbO4?

Li3NbO4 is a stable, insulating lithium oxide compound used primarily in fundamental materials research.

More questions
What is Li3NbO4 used for?
Li3NbO4 is used in solid-state electrolyte research, fundamental materials science studies, and ceramic material development.
What is the band gap of Li3NbO4?
Li3NbO4 has a DFT-computed band gap of 1.08–3.84 eV across 10 reported structures.
Is Li3NbO4 a metal, semiconductor, or insulator?
With a wide band gap up to 3.84 eV it is an insulator / wide-band-gap material.
Is Li3NbO4 thermodynamically stable?
Yes — Li3NbO4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Li3NbO4 are known?
10 structures of Li3NbO4 are reported across 3 databases, spanning 2 distinct space groups.
How is Li3NbO4 synthesized?
Literature-reported routes for Li3NbO4 include sol gel, solid state (7 procedures documented).
What elements does Li3NbO4 contain?
Li3NbO4 contains Li, Nb, and O (3 elements).
Where does the data for Li3NbO4 come from?
Li3NbO4 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the lithium oxides class.

Unlike the electrochemically active cathode materials LiCoO2 and LiMn2O4, which are designed for high-capacity ion transport, Li3NbO4 acts as a stable, insulating framework that lacks the transition metal redox flexibility found in its more famous siblings.

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Related Compounds

Other Lithium Oxides in the database.

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

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