MgCrO2

MgCrO2 is a semiconducting oxide material often studied for its role in catalytic applications and its unique structural properties within the spinel family.

Crystal structure of MgCrO2
Ground-state structure · Materials Project
Overview

About MgCrO2

MgCrO2 is a semiconducting oxide that belongs to the broader class of spinel-related materials. Its electronic structure and composition make it a subject of interest for researchers investigating complex metal oxide systems for potential catalytic pathways.

While it is classified among spinel oxide catalysts, this specific stoichiometry is characterized by its position above the thermodynamic hull. This suggests that the material may be metastable, which drives significant interest in its synthesis and structural behavior across multiple reported crystallographic configurations.

At a glance

Key Properties

Cross-validated computational properties for MgCrO2, aggregated across 3 databases.

Band Gap

0.28–0.78 eV
Range across DFT structures

Energy Above Hull

0.127 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

14
3 databases, 6 space groups
Uses

Applications

Where MgCrO2 is used.

Catalysis researchMaterials science studiesSolid-state chemistry exploration
Reference

Frequently Asked Questions

Common questions about MgCrO2, answered from cross-validated data.

What is MgCrO2?

MgCrO2 is a semiconducting oxide material often studied for its role in catalytic applications and its unique structural properties within the spinel family.

More questions
What is MgCrO2 used for?
MgCrO2 is used in catalysis research, materials science studies, and solid-state chemistry exploration.
What is the band gap of MgCrO2?
MgCrO2 has a DFT-computed band gap of 0.28–0.78 eV across 14 reported structures.
Is MgCrO2 a metal, semiconductor, or insulator?
With a band gap up to 0.78 eV it is a semiconductor.
Is MgCrO2 thermodynamically stable?
MgCrO2 has a lowest energy above hull of 0.127 eV/atom (above hull).
How many polymorphs of MgCrO2 are known?
14 structures of MgCrO2 are reported across 3 databases, spanning 6 distinct space groups.
What elements does MgCrO2 contain?
MgCrO2 contains Cr, Mg, and O (3 elements).
Where does the data for MgCrO2 come from?
MgCrO2 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the spinel oxide catalysts class.

Unlike the highly stable and widely utilized MgAl2O4 spinel, which serves as a robust structural reference, MgCrO2 presents a more complex thermodynamic profile. While simple binary oxides like NiO or ZnO are frequently employed for their predictable catalytic activity, MgCrO2 represents a more specialized, potentially unstable phase that requires precise synthesis conditions to stabilize compared to the perovskite-structured LaMnO3 or LaAlO3.

Explore

Related Compounds

Other Spinel Oxide Catalysts in the database.

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

Analyze MgCrO2 in the Lattice Graph platform

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

Explore the Platform →