CaHfO3

calcium hafnate · calcium hafnium oxide

Calcium hafnate is a stable, insulating oxide material utilized in high-performance dielectric and refractory technologies.

Crystal structure of CaHfO3
Ground-state structure · Materials Project
Overview

About calcium hafnate

Calcium hafnate is a thermodynamically stable inorganic compound that functions as a wide-band-gap insulator. Its robust structural integrity and electronic properties make it a subject of significant interest for high-performance dielectric and thermal barrier applications.

As a member of the fluorite-related oxide family, this material is valued for its chemical stability in demanding environments. It is frequently investigated for its potential in microelectronics and as a specialized refractory component where insulating performance is critical.

At a glance

Key Properties

Cross-validated computational properties for calcium hafnate, aggregated across 4 databases.

Band Gap

3.66–4.49 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
3 DFT sources

Structures

12
4 databases, 2 space groups
Synthesis

Synthesis Routes

Literature-extracted synthesis procedures targeting CaHfO3.

Solid State
Procedure available · ceder_solid_state
Uses

Applications

Where calcium hafnate is used.

Dielectric gate insulatorsRefractory materialsThermal barrier coatingsHigh-temperature sensors
Reference

Frequently Asked Questions

Common questions about calcium hafnate, answered from cross-validated data.

What is CaHfO3?

Calcium hafnate is a stable, insulating oxide material utilized in high-performance dielectric and refractory technologies.

More questions
What is CaHfO3 used for?
calcium hafnate (CaHfO3) is used in dielectric gate insulators, refractory materials, thermal barrier coatings, and high-temperature sensors.
What is the band gap of CaHfO3?
calcium hafnate (CaHfO3) has a DFT-computed band gap of 3.66–4.49 eV across 12 reported structures.
Is CaHfO3 a metal, semiconductor, or insulator?
With a wide band gap up to 4.49 eV it is an insulator / wide-band-gap material.
Is CaHfO3 thermodynamically stable?
Yes — calcium hafnate (CaHfO3) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of CaHfO3 are known?
12 structures of CaHfO3 are reported across 4 databases, spanning 2 distinct space groups.
How is CaHfO3 synthesized?
Literature-reported routes for CaHfO3 include solid state.
What elements does CaHfO3 contain?
calcium hafnate (CaHfO3) contains Ca, Hf, and O (3 elements).
Where does the data for CaHfO3 come from?
CaHfO3 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the fluorite oxide-ion conductors class.

Within the diverse group of fluorite-related oxide-ion conductors, calcium hafnate stands out as a highly stable insulating counterpart to more conductive or defect-rich members like Y2Zr2O7 or La2Zr2O7. While many siblings in this class are engineered specifically for ionic transport, CaHfO3 is primarily recognized for its structural resilience and dielectric utility, distinguishing it from the pyrochlore-structured zirconates.

Explore

Related Compounds

Other Fluorite Oxide-Ion Conductors in the database.

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

Analyze CaHfO3 in the Lattice Graph platform

Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.

Explore the Platform →