CaCrO2

CaCrO2 is a metastable semiconducting oxide catalyst used in advanced materials research.

Crystal structure of CaCrO2
Ground-state structure · Materials Project
Overview

About CaCrO2

CaCrO2 is a semiconducting oxide that belongs to the broader family of spinel-related catalysts. Its metastable nature makes it an intriguing subject for materials scientists looking to tune electronic properties for specific chemical reactions.

Because of its complex structural landscape, this compound is frequently studied for its potential in surface-mediated processes. Its electronic character positions it as a candidate for applications where controlled charge transfer is essential for catalytic efficiency.

At a glance

Key Properties

Cross-validated computational properties for CaCrO2, aggregated across 4 databases.

Band Gap

0.68–1.88 eV
Range across DFT structures

Energy Above Hull

0.084 eV/atom
Best (lowest) across sources

Stability

Metastable
3 DFT sources

Structures

15
4 databases, 6 space groups
Uses

Applications

Where CaCrO2 is used.

Catalysis researchElectronic materials developmentSurface chemistry studies
Reference

Frequently Asked Questions

Common questions about CaCrO2, answered from cross-validated data.

What is CaCrO2?

CaCrO2 is a metastable semiconducting oxide catalyst used in advanced materials research.

More questions
What is CaCrO2 used for?
CaCrO2 is used in catalysis research, electronic materials development, and surface chemistry studies.
What is the band gap of CaCrO2?
CaCrO2 has a DFT-computed band gap of 0.68–1.88 eV across 15 reported structures.
Is CaCrO2 a metal, semiconductor, or insulator?
With a band gap up to 1.88 eV it is a semiconductor.
Is CaCrO2 thermodynamically stable?
CaCrO2 has a lowest energy above hull of 0.084 eV/atom (metastable).
How many polymorphs of CaCrO2 are known?
15 structures of CaCrO2 are reported across 4 databases, spanning 6 distinct space groups.
What elements does CaCrO2 contain?
CaCrO2 contains Ca, Cr, and O (3 elements).
Where does the data for CaCrO2 come from?
CaCrO2 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the spinel oxide catalysts class.

Within the diverse group of spinel and perovskite-related oxides like MgAl2O4 and LaMnO3, CaCrO2 occupies a unique niche due to its metastable state. While compounds like ZnO and NiO are often favored for their high thermodynamic stability, CaCrO2 provides a distinct structural alternative that researchers investigate when seeking non-traditional catalytic pathways.

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Related Compounds

Other Spinel Oxide Catalysts in the database.

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

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