Li3Nb4CuO12

Li3Nb4CuO12 is a metastable semiconducting oxide containing lithium, niobium, copper, and oxygen.

CuLiNbO
Crystal structure of Li3Nb4CuO12
Ground-state structure · Materials Project
Overview

About Li3Nb4CuO12

Li3Nb4CuO12 is a complex quaternary oxide composed of lithium, niobium, copper, and oxygen. As a semiconducting material, it represents an intriguing subject for solid-state chemistry research, particularly regarding how its specific atomic arrangement influences electronic behavior.

Because this compound is classified as metastable, it occupies a unique space in materials science where its synthesis and stability are highly sensitive to processing conditions. Its existence across multiple reported structures highlights the structural flexibility inherent in this specific elemental combination.

At a glance

Key Properties

Cross-validated computational properties for Li3Nb4CuO12, aggregated across 3 databases.

Band Gap

1.07 eV
Range across DFT structures

Energy Above Hull

0.032 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

5
3 databases, 1 space group
Uses

Applications

Where Li3Nb4CuO12 is used.

Materials science researchSolid-state chemistry studiesSemiconductor development
Reference

Frequently Asked Questions

Common questions about Li3Nb4CuO12, answered from cross-validated data.

What is Li3Nb4CuO12?

Li3Nb4CuO12 is a metastable semiconducting oxide containing lithium, niobium, copper, and oxygen.

More questions
What is Li3Nb4CuO12 used for?
Li3Nb4CuO12 is used in materials science research, solid-state chemistry studies, and semiconductor development.
What is the band gap of Li3Nb4CuO12?
Li3Nb4CuO12 has a DFT-computed band gap of 1.07 eV across 5 reported structures.
Is Li3Nb4CuO12 a metal, semiconductor, or insulator?
With a band gap up to 1.07 eV it is a semiconductor.
Is Li3Nb4CuO12 thermodynamically stable?
Li3Nb4CuO12 has a lowest energy above hull of 0.032 eV/atom (metastable).
How many polymorphs of Li3Nb4CuO12 are known?
5 structures of Li3Nb4CuO12 are reported across 3 databases, spanning 1 distinct space group.
What elements does Li3Nb4CuO12 contain?
Li3Nb4CuO12 contains Cu, Li, Nb, and O (4 elements).
Where does the data for Li3Nb4CuO12 come from?
Li3Nb4CuO12 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique quaternary oxide, Li3Nb4CuO12 serves as a distinct example of how transition metals like niobium and copper can be integrated into a lithium-based lattice to produce semiconducting properties, setting a baseline for future exploration of similar complex oxide systems.

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

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