CaTa2O6

CaTa2O6 is a stable, insulating perovskite oxide used in materials science research for its structural reliability and electronic properties.

Crystal structure of CaTa2O6
Ground-state structure · Materials Project
Overview

About CaTa2O6

CaTa2O6 is a thermodynamically stable oxide belonging to the perovskite family. Characterized by a wide band gap, this material functions as an effective electrical insulator, making it a subject of interest for structural and electronic investigations in solid-state chemistry.

Its presence on the convex hull suggests a robust structural integrity that facilitates its use in high-performance applications. With multiple reported structures, it remains a versatile component in the development of advanced ceramic materials and electronic components.

At a glance

Key Properties

Cross-validated computational properties for CaTa2O6, aggregated across 3 databases.

Band Gap

2.10–3.47 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

8
3 databases, 3 space groups
Uses

Applications

Where CaTa2O6 is used.

Dielectric materialsCeramic capacitorsSolid-state electronics research
Reference

Frequently Asked Questions

Common questions about CaTa2O6, answered from cross-validated data.

What is CaTa2O6?

CaTa2O6 is a stable, insulating perovskite oxide used in materials science research for its structural reliability and electronic properties.

More questions
What is CaTa2O6 used for?
CaTa2O6 is used in dielectric materials, ceramic capacitors, and solid-state electronics research.
What is the band gap of CaTa2O6?
CaTa2O6 has a DFT-computed band gap of 2.10–3.47 eV across 8 reported structures.
Is CaTa2O6 a metal, semiconductor, or insulator?
With a wide band gap up to 3.47 eV it is an insulator / wide-band-gap material.
Is CaTa2O6 thermodynamically stable?
Yes — CaTa2O6 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of CaTa2O6 are known?
8 structures of CaTa2O6 are reported across 3 databases, spanning 3 distinct space groups.
What elements does CaTa2O6 contain?
CaTa2O6 contains Ca, O, and Ta (3 elements).
Where does the data for CaTa2O6 come from?
CaTa2O6 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the perovskite oxides class.

Unlike the highly conductive or magnetic transition metal perovskites such as LaNiO3 or LaMnO3, CaTa2O6 is defined by its insulating electronic character. While many class members like BaTiO3 are widely utilized for their ferroelectric properties, this tantalum-based oxide is valued primarily for its stability and dielectric performance, distinguishing it from the more complex magnetic oxides like LaFeO3 or LaCoO3.

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Related Compounds

Other Perovskite Oxides in the database.

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

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