Li2Hf2O5

Li2Hf2O5 is a metastable, insulating lithium hafnium oxide compound primarily used in materials science research.

Crystal structure of Li2Hf2O5
Ground-state structure · Materials Project
Overview

About Li2Hf2O5

Li2Hf2O5 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 researchers investigating the fundamental behavior of lithium-containing ceramic materials.

This compound is primarily utilized in materials science research to explore the stability and structural diversity of ternary oxides. By examining its distinct lattice arrangements, scientists can better understand the potential for ion mobility and structural phase transitions in high-performance oxide frameworks.

At a glance

Key Properties

Cross-validated computational properties for Li2Hf2O5, aggregated across 3 databases.

Band Gap

3.81–4.35 eV
Range across DFT structures

Energy Above Hull

0.080 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

6
3 databases, 2 space groups
Uses

Applications

Where Li2Hf2O5 is used.

Materials science researchSolid-state chemistry studiesFundamental structural analysis
Reference

Frequently Asked Questions

Common questions about Li2Hf2O5, answered from cross-validated data.

What is Li2Hf2O5?

Li2Hf2O5 is a metastable, insulating lithium hafnium oxide compound primarily used in materials science research.

More questions
What is Li2Hf2O5 used for?
Li2Hf2O5 is used in materials science research, solid-state chemistry studies, and fundamental structural analysis.
What is the band gap of Li2Hf2O5?
Li2Hf2O5 has a DFT-computed band gap of 3.81–4.35 eV across 6 reported structures.
Is Li2Hf2O5 a metal, semiconductor, or insulator?
With a wide band gap up to 4.35 eV it is an insulator / wide-band-gap material.
Is Li2Hf2O5 thermodynamically stable?
Li2Hf2O5 has a lowest energy above hull of 0.080 eV/atom (metastable).
How many polymorphs of Li2Hf2O5 are known?
6 structures of Li2Hf2O5 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Li2Hf2O5 contain?
Li2Hf2O5 contains Hf, Li, and O (3 elements).
Where does the data for Li2Hf2O5 come from?
Li2Hf2O5 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 or LiMn2O4, Li2Hf2O5 is characterized by its metastable state. While compounds like Li2O serve as fundamental building blocks in lithium oxide chemistry, Li2Hf2O5 represents a more specialized, structurally complex phase that lacks the widespread electrochemical application of its transition-metal-based siblings.

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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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