Y2HfO5

Y2HfO5 is a stable, insulating oxide-ion conductor utilized in the study of advanced ceramic materials.

Crystal structure of Y2HfO5
Ground-state structure · Materials Project
Overview

About Y2HfO5

Y2HfO5 belongs to the class of fluorite-related oxide-ion conductors, characterized by its wide-band-gap insulating electronic structure. As a near-hull stable compound, it exhibits the structural integrity required for high-temperature ionic transport applications.

This material is of significant interest in materials science due to its potential for defect engineering within the fluorite lattice. Its stability and ionic properties make it a subject of ongoing research for specialized ceramic components and electrolyte development.

At a glance

Key Properties

Cross-validated computational properties for Y2HfO5, aggregated across 3 databases.

Band Gap

4.05–4.56 eV
Range across DFT structures

Energy Above Hull

0.001 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

21
3 databases, 4 space groups
Uses

Applications

Where Y2HfO5 is used.

Solid oxide fuel cell electrolytesThermal barrier coatingsIonic conductorsCeramic research
Reference

Frequently Asked Questions

Common questions about Y2HfO5, answered from cross-validated data.

What is Y2HfO5?

Y2HfO5 is a stable, insulating oxide-ion conductor utilized in the study of advanced ceramic materials.

More questions
What is Y2HfO5 used for?
Y2HfO5 is used in solid oxide fuel cell electrolytes, thermal barrier coatings, ionic conductors, and ceramic research.
What is the band gap of Y2HfO5?
Y2HfO5 has a DFT-computed band gap of 4.05–4.56 eV across 21 reported structures.
Is Y2HfO5 a metal, semiconductor, or insulator?
With a wide band gap up to 4.56 eV it is an insulator / wide-band-gap material.
Is Y2HfO5 thermodynamically stable?
Y2HfO5 has a lowest energy above hull of 0.001 eV/atom (near hull (likely stable)).
How many polymorphs of Y2HfO5 are known?
21 structures of Y2HfO5 are reported across 3 databases, spanning 4 distinct space groups.
What elements does Y2HfO5 contain?
Y2HfO5 contains Hf, O, and Y (3 elements).
Where does the data for Y2HfO5 come from?
Y2HfO5 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the fluorite oxide-ion conductors class.

Within the diverse family of fluorite-related oxides, Y2HfO5 occupies a niche similar to Y2Zr2O7, balancing structural stability with ionic mobility. While compounds like La2Zr2O7 and CaHfO3 are more widely recognized for their specific thermal or dielectric properties, Y2HfO5 offers a distinct chemical composition that bridges the gap between traditional zirconates and hafnates in this class.

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Related Compounds

Other Fluorite Oxide-Ion Conductors in the database.

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

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