Cr2O6Sc2

Cr2O6Sc2 is a metastable semiconducting oxide utilized in the field of catalytic materials science.

Crystal structure of Cr2O6Sc2
Ground-state structure · Materials Project
Overview

About Cr2O6Sc2

Cr2O6Sc2 is a complex ternary oxide that functions as a semiconducting member of the spinel oxide catalyst family. Its electronic structure and metastable nature make it a subject of significant interest for researchers investigating tunable catalytic performance in specialized chemical environments.

This material is primarily studied for its potential in catalytic processes where specific electronic configurations are required to facilitate reaction pathways. By leveraging its unique composition, it offers a distinct alternative to more conventional oxides in the pursuit of efficient surface-mediated transformations.

At a glance

Key Properties

Cross-validated computational properties for Cr2O6Sc2, aggregated across 3 databases.

Band Gap

2.42 eV
Range across DFT structures

Energy Above Hull

0.037 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

12
3 databases, 5 space groups
Uses

Applications

Where Cr2O6Sc2 is used.

Catalytic oxidation processesSurface-mediated chemical synthesisMaterials science research
Reference

Frequently Asked Questions

Common questions about Cr2O6Sc2, answered from cross-validated data.

What is Cr2O6Sc2?

Cr2O6Sc2 is a metastable semiconducting oxide utilized in the field of catalytic materials science.

More questions
What is Cr2O6Sc2 used for?
Cr2O6Sc2 is used in catalytic oxidation processes, surface-mediated chemical synthesis, and materials science research.
What is the band gap of Cr2O6Sc2?
Cr2O6Sc2 has a DFT-computed band gap of 2.42 eV across 12 reported structures.
Is Cr2O6Sc2 a metal, semiconductor, or insulator?
With a band gap up to 2.42 eV it is a semiconductor.
Is Cr2O6Sc2 thermodynamically stable?
Cr2O6Sc2 has a lowest energy above hull of 0.037 eV/atom (metastable).
How many polymorphs of Cr2O6Sc2 are known?
12 structures of Cr2O6Sc2 are reported across 3 databases, spanning 5 distinct space groups.
What elements does Cr2O6Sc2 contain?
Cr2O6Sc2 contains Cr, O, and Sc (3 elements).
Where does the data for Cr2O6Sc2 come from?
Cr2O6Sc2 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the spinel oxide catalysts class.

Within the broad landscape of spinel and related oxide catalysts, Cr2O6Sc2 occupies a niche position compared to highly stable, widely utilized materials like MgAl2O4 or simple binary oxides such as ZnO and NiO. While those established compounds are often favored for their robust thermodynamic profiles and well-understood surface chemistry, Cr2O6Sc2 is distinguished by its metastable character, which can provide unique reactivity advantages in specific catalytic cycles.

Explore

Related Compounds

Other Spinel Oxide Catalysts in the database.

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

Analyze Cr2O6Sc2 in the Lattice Graph platform

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

Explore the Platform →