Li4NbFe5O12

Li4NbFe5O12 is a semiconducting oxide of lithium, niobium, and iron that is currently the subject of structural investigation in materials science.

FeLiNbO
Crystal structure of Li4NbFe5O12
Ground-state structure · Materials Project
Overview

About Li4NbFe5O12

Li4NbFe5O12 is a complex oxide composed of lithium, niobium, iron, and oxygen. As a semiconducting material, it represents an intricate arrangement of transition metals within an oxygen framework, drawing interest for its potential electronic behavior and structural complexity.

While the compound is currently identified as being above the thermodynamic hull, its existence in multiple structural databases highlights its significance in fundamental materials research. Understanding such metastable phases is vital for exploring new pathways in solid-state chemistry and materials design.

At a glance

Key Properties

Cross-validated computational properties for Li4NbFe5O12, aggregated across 3 databases.

Band Gap

0.53 eV
Range across DFT structures

Energy Above Hull

0.105 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

5
3 databases, 1 space group
Uses

Applications

Where Li4NbFe5O12 is used.

Solid-state researchMaterials science exploration
Reference

Frequently Asked Questions

Common questions about Li4NbFe5O12, answered from cross-validated data.

What is Li4NbFe5O12?

Li4NbFe5O12 is a semiconducting oxide of lithium, niobium, and iron that is currently the subject of structural investigation in materials science.

More questions
What is Li4NbFe5O12 used for?
Li4NbFe5O12 is used in solid-state research and materials science exploration.
What is the band gap of Li4NbFe5O12?
Li4NbFe5O12 has a DFT-computed band gap of 0.53 eV across 5 reported structures.
Is Li4NbFe5O12 a metal, semiconductor, or insulator?
With a band gap up to 0.53 eV it is a semiconductor.
Is Li4NbFe5O12 thermodynamically stable?
Li4NbFe5O12 has a lowest energy above hull of 0.105 eV/atom (above hull).
How many polymorphs of Li4NbFe5O12 are known?
5 structures of Li4NbFe5O12 are reported across 3 databases, spanning 1 distinct space group.
What elements does Li4NbFe5O12 contain?
Li4NbFe5O12 contains Fe, Li, Nb, and O (4 elements).
Where does the data for Li4NbFe5O12 come from?
Li4NbFe5O12 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique complex oxide, Li4NbFe5O12 serves as an important case study in the exploration of multi-component lithium-based systems, providing researchers with insights into how niobium and iron interactions influence the stability and electronic properties of these lattices.

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

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