Li7TaO6

Li7TaO6 is a metastable, insulating lithium oxide compound utilized primarily in fundamental materials research.

Crystal structure of Li7TaO6
Ground-state structure · Materials Project
Overview

About Li7TaO6

Li7TaO6 is a complex lithium oxide characterized by its wide-band-gap insulating behavior. As a metastable phase, it represents a unique structural arrangement within the lithium-rich oxide family, offering researchers insight into unconventional stoichiometry and ionic coordination environments.

This compound is of interest in materials science for its potential role in solid-state ionics and advanced ceramic research. Its electronic nature as an insulator distinguishes it from the more conductive transition metal-based oxides, making it a subject of study for specialized dielectric or electrolyte applications.

At a glance

Key Properties

Cross-validated computational properties for Li7TaO6, aggregated across 3 databases.

Band Gap

4.37 eV
Range across DFT structures

Energy Above Hull

0.033 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

5
3 databases, 1 space group
Uses

Applications

Where Li7TaO6 is used.

Solid-state ionics researchAdvanced ceramic developmentDielectric materials study
Reference

Frequently Asked Questions

Common questions about Li7TaO6, answered from cross-validated data.

What is Li7TaO6?

Li7TaO6 is a metastable, insulating lithium oxide compound utilized primarily in fundamental materials research.

More questions
What is Li7TaO6 used for?
Li7TaO6 is used in solid-state ionics research, advanced ceramic development, and dielectric materials study.
What is the band gap of Li7TaO6?
Li7TaO6 has a DFT-computed band gap of 4.37 eV across 5 reported structures.
Is Li7TaO6 a metal, semiconductor, or insulator?
With a wide band gap up to 4.37 eV it is an insulator / wide-band-gap material.
Is Li7TaO6 thermodynamically stable?
Li7TaO6 has a lowest energy above hull of 0.033 eV/atom (metastable).
How many polymorphs of Li7TaO6 are known?
5 structures of Li7TaO6 are reported across 3 databases, spanning 1 distinct space group.
What elements does Li7TaO6 contain?
Li7TaO6 contains Li, O, and Ta (3 elements).
Where does the data for Li7TaO6 come from?
Li7TaO6 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, LiMn2O4, and LiNiO2, Li7TaO6 exists in a metastable state. While siblings like Li2O serve as fundamental building blocks in lithium-based chemistry, Li7TaO6 occupies a more niche structural space, reflecting the diverse coordination chemistry possible when tantalum is incorporated into the lithium oxide framework.

Explore

Related Compounds

Other Lithium Oxides in the database.

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

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