La2HfO5

La2HfO5 is an insulating, hafnium-based oxide material studied for its potential as a solid-state ionic conductor in advanced ceramic applications.

Crystal structure of La2HfO5
Ground-state structure · Materials Project
Overview

About La2HfO5

La2HfO5 belongs to the class of fluorite-derived oxide-ion conductors, characterized by its wide-band-gap insulating electronic structure. Its thermodynamic stability near the convex hull suggests it is a viable candidate for experimental synthesis and structural characterization.

This material is primarily investigated for its potential role in high-temperature electrochemical systems. By leveraging its oxide-ion transport properties, researchers aim to utilize such compounds in solid-state electrolytes and thermal barrier coatings where structural integrity and ionic mobility are critical.

At a glance

Key Properties

Cross-validated computational properties for La2HfO5, aggregated across 2 databases.

Band Gap

3.72–4.30 eV
Range across DFT structures

Energy Above Hull

0.024 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
1 DFT source

Structures

16
2 databases, 3 space groups
Uses

Applications

Where La2HfO5 is used.

Solid-state electrolytesThermal barrier coatingsHigh-temperature electrochemical devices
Reference

Frequently Asked Questions

Common questions about La2HfO5, answered from cross-validated data.

What is La2HfO5?

La2HfO5 is an insulating, hafnium-based oxide material studied for its potential as a solid-state ionic conductor in advanced ceramic applications.

More questions
What is La2HfO5 used for?
La2HfO5 is used in solid-state electrolytes, thermal barrier coatings, and high-temperature electrochemical devices.
What is the band gap of La2HfO5?
La2HfO5 has a DFT-computed band gap of 3.72–4.30 eV across 16 reported structures.
Is La2HfO5 a metal, semiconductor, or insulator?
With a wide band gap up to 4.30 eV it is an insulator / wide-band-gap material.
Is La2HfO5 thermodynamically stable?
La2HfO5 has a lowest energy above hull of 0.024 eV/atom (near hull (likely stable)).
How many polymorphs of La2HfO5 are known?
16 structures of La2HfO5 are reported across 2 databases, spanning 3 distinct space groups.
What elements does La2HfO5 contain?
La2HfO5 contains Hf, La, and O (3 elements).
Where does the data for La2HfO5 come from?
La2HfO5 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the fluorite oxide-ion conductors class.

Within the family of fluorite-related oxides, La2HfO5 occupies a niche similar to Y2HfO5, sharing the hafnium-based framework that differentiates it from the more common zirconium-based counterparts like La2Zr2O7 or CaZrO3. While many of its siblings are extensively documented for their specific ionic conductivity profiles, La2HfO5 remains a compelling subject of study due to its distinct structural arrangement and stability profile relative to the broader zirconate and hafnate series.

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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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