Li7NbO6

Li7NbO6 is a metastable, insulating lithium oxide compound used primarily in academic research to study the structural and electronic properties of lithium-rich materials.

Crystal structure of Li7NbO6
Ground-state structure · Materials Project
Overview

About Li7NbO6

Li7NbO6 is a complex lithium oxide that functions as a wide-gap insulator. Its electronic structure and metastable nature make it a subject of interest for fundamental studies in solid-state chemistry and materials science. The compound is primarily utilized in experimental research settings where the behavior of lithium-rich oxides is being explored for potential electrochemical applications. Its structural diversity, evidenced by multiple reported configurations, highlights the complexity of lithium-niobium-oxygen phase space. As a metastable phase, it provides valuable insights into the synthesis and stability limits of lithium-based ceramics, which are essential for developing next-generation energy storage components. The material is studied for its role in ion-conducting pathways and its potential as a precursor or additive in advanced ceramic processing.

At a glance

Key Properties

Cross-validated computational properties for Li7NbO6, aggregated across 3 databases.

Band Gap

3.54 eV
Range across DFT structures

Energy Above Hull

0.036 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

5
3 databases, 1 space group
Uses

Applications

Where Li7NbO6 is used.

Solid-state electrolyte researchFundamental materials science studiesCeramic precursor development
Reference

Frequently Asked Questions

Common questions about Li7NbO6, answered from cross-validated data.

What is Li7NbO6?

Li7NbO6 is a metastable, insulating lithium oxide compound used primarily in academic research to study the structural and electronic properties of lithium-rich materials.

More questions
What is Li7NbO6 used for?
Li7NbO6 is used in solid-state electrolyte research, fundamental materials science studies, and ceramic precursor development.
What is the band gap of Li7NbO6?
Li7NbO6 has a DFT-computed band gap of 3.54 eV across 5 reported structures.
Is Li7NbO6 a metal, semiconductor, or insulator?
With a wide band gap up to 3.54 eV it is an insulator / wide-band-gap material.
Is Li7NbO6 thermodynamically stable?
Li7NbO6 has a lowest energy above hull of 0.036 eV/atom (metastable).
How many polymorphs of Li7NbO6 are known?
5 structures of Li7NbO6 are reported across 3 databases, spanning 1 distinct space group.
What elements does Li7NbO6 contain?
Li7NbO6 contains Li, Nb, and O (3 elements).
Where does the data for Li7NbO6 come from?
Li7NbO6 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the lithium oxides class.

Unlike the highly stable and commercially ubiquitous cathode materials such as LiCoO2 and LiMn2O4, Li7NbO6 is a metastable phase that lacks the widespread electrochemical utility of its lithium-transition metal oxide siblings. While materials like Li2TiO3 and Li4SiO4 are often investigated for their structural robustness in battery environments, Li7NbO6 occupies a more niche position, serving as a model system for understanding the intricacies of lithium-rich oxide frameworks rather than as a primary active material in commercial cells.

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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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