Li4NbFe3O8

Li4NbFe3O8 is a metastable semiconducting oxide composed of lithium, niobium, iron, and oxygen that is studied for its potential in advanced electrochemical systems.

FeLiNbO
Crystal structure of Li4NbFe3O8
Ground-state structure · Materials Project
Overview

About Li4NbFe3O8

Li4NbFe3O8 is a complex oxide featuring lithium, niobium, iron, and oxygen. As a semiconducting material, it represents a unique intersection of transition metal chemistry and lithium-ion coordination, attracting interest for its potential in electrochemical applications.

Despite its metastable nature, the compound has garnered significant attention in computational materials science. Its structural diversity, evidenced by multiple reported configurations across databases, highlights its complexity and the ongoing efforts to stabilize such phases for functional use.

At a glance

Key Properties

Cross-validated computational properties for Li4NbFe3O8, aggregated across 3 databases.

Band Gap

0.75–2.55 eV
Range across DFT structures

Energy Above Hull

0.046 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

9
3 databases, 2 space groups
Uses

Applications

Where Li4NbFe3O8 is used.

Energy storage researchElectrochemical material developmentSolid-state ionics
Reference

Frequently Asked Questions

Common questions about Li4NbFe3O8, answered from cross-validated data.

What is Li4NbFe3O8?

Li4NbFe3O8 is a metastable semiconducting oxide composed of lithium, niobium, iron, and oxygen that is studied for its potential in advanced electrochemical systems.

More questions
What is Li4NbFe3O8 used for?
Li4NbFe3O8 is used in energy storage research, electrochemical material development, and solid-state ionics.
What is the band gap of Li4NbFe3O8?
Li4NbFe3O8 has a DFT-computed band gap of 0.75–2.55 eV across 9 reported structures.
Is Li4NbFe3O8 a metal, semiconductor, or insulator?
With a band gap up to 2.55 eV it is a semiconductor.
Is Li4NbFe3O8 thermodynamically stable?
Li4NbFe3O8 has a lowest energy above hull of 0.046 eV/atom (metastable).
How many polymorphs of Li4NbFe3O8 are known?
9 structures of Li4NbFe3O8 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Li4NbFe3O8 contain?
Li4NbFe3O8 contains Fe, Li, Nb, and O (4 elements).
Where does the data for Li4NbFe3O8 come from?
Li4NbFe3O8 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a specialized mixed-metal oxide, Li4NbFe3O8 occupies a distinct niche in the landscape of lithium-based semiconducting materials. While it lacks direct structural siblings in this specific grouping, its composition suggests a role in exploring high-capacity electrode architectures where iron and niobium synergistically influence electronic transport and structural integrity.

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

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