LiNbFeO4

LiNbFeO4 is a thermodynamically stable semiconducting oxide composed of lithium, niobium, iron, and oxygen.

FeLiNbO
Crystal structure of LiNbFeO4
Ground-state structure · Materials Project
Overview

About LiNbFeO4

LiNbFeO4 is a complex quaternary oxide that exists as a thermodynamically stable phase on the convex hull. Its electronic character as a semiconductor makes it an intriguing candidate for functional materials design where stable, multi-element oxides are required for specific electronic or optical responses.

With numerous reported structures across multiple databases, this compound is a well-documented subject of structural investigation. Its ability to maintain stability while incorporating diverse metallic cations suggests a versatile framework for exploring solid-state chemistry and potential electronic applications.

At a glance

Key Properties

Cross-validated computational properties for LiNbFeO4, aggregated across 3 databases.

Band Gap

0.79–2.58 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

27
3 databases, 6 space groups
Uses

Applications

Where LiNbFeO4 is used.

Solid-state researchMaterials science explorationSemiconductor development
Reference

Frequently Asked Questions

Common questions about LiNbFeO4, answered from cross-validated data.

What is LiNbFeO4?

LiNbFeO4 is a thermodynamically stable semiconducting oxide composed of lithium, niobium, iron, and oxygen.

More questions
What is LiNbFeO4 used for?
LiNbFeO4 is used in solid-state research, materials science exploration, and semiconductor development.
What is the band gap of LiNbFeO4?
LiNbFeO4 has a DFT-computed band gap of 0.79–2.58 eV across 27 reported structures.
Is LiNbFeO4 a metal, semiconductor, or insulator?
With a band gap up to 2.58 eV it is a semiconductor.
Is LiNbFeO4 thermodynamically stable?
Yes — LiNbFeO4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of LiNbFeO4 are known?
27 structures of LiNbFeO4 are reported across 3 databases, spanning 6 distinct space groups.
What elements does LiNbFeO4 contain?
LiNbFeO4 contains Fe, Li, Nb, and O (4 elements).
Where does the data for LiNbFeO4 come from?
LiNbFeO4 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique quaternary oxide, LiNbFeO4 occupies a distinct position in the landscape of complex metallic oxides. While many similar ternary systems are extensively characterized, this compound represents a specialized structural arrangement that leverages the interplay between lithium, niobium, and iron to achieve its stable semiconducting state.

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

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