MgCr4O12

MgCr4O12 is a semiconducting spinel oxide that serves as a complex, metastable material within the broader family of transition metal oxide catalysts.

Crystal structure of MgCr4O12
Ground-state structure · Materials Project
Overview

About MgCr4O12

MgCr4O12 is a semiconducting material categorized within the spinel oxide catalyst family. Its complex structural arrangement, characterized by multiple reported configurations, highlights the intricate coordination chemistry possible within chromium-based oxide systems.

While its thermodynamic profile suggests it exists above the hull, this compound remains a subject of interest for understanding metastable phases in catalytic materials. Its potential utility is tied to its electronic character, which influences its behavior in various chemical environments.

At a glance

Key Properties

Cross-validated computational properties for MgCr4O12, aggregated across 2 databases.

Band Gap

0.10–1.44 eV
Range across DFT structures

Energy Above Hull

0.104 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

21
2 databases, 3 space groups
Uses

Applications

Where MgCr4O12 is used.

Catalysis researchMaterials science explorationSolid-state chemistry studies
Reference

Frequently Asked Questions

Common questions about MgCr4O12, answered from cross-validated data.

What is MgCr4O12?

MgCr4O12 is a semiconducting spinel oxide that serves as a complex, metastable material within the broader family of transition metal oxide catalysts.

More questions
What is MgCr4O12 used for?
MgCr4O12 is used in catalysis research, materials science exploration, and solid-state chemistry studies.
What is the band gap of MgCr4O12?
MgCr4O12 has a DFT-computed band gap of 0.10–1.44 eV across 21 reported structures.
Is MgCr4O12 a metal, semiconductor, or insulator?
With a band gap up to 1.44 eV it is a semiconductor.
Is MgCr4O12 thermodynamically stable?
MgCr4O12 has a lowest energy above hull of 0.104 eV/atom (above hull).
How many polymorphs of MgCr4O12 are known?
21 structures of MgCr4O12 are reported across 2 databases, spanning 3 distinct space groups.
What elements does MgCr4O12 contain?
MgCr4O12 contains Cr, Mg, and O (3 elements).
Where does the data for MgCr4O12 come from?
MgCr4O12 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the spinel oxide catalysts class.

Unlike the highly stable and widely utilized MgAl2O4, which serves as a benchmark for spinel structural integrity, MgCr4O12 exhibits a more complex and potentially unstable thermodynamic landscape. While simple binary oxides like NiO or ZnO are frequently employed for their robust catalytic performance, MgCr4O12 represents a more specialized, high-order oxide that requires careful synthesis to navigate its metastable nature.

Explore

Related Compounds

Other Spinel Oxide Catalysts in the database.

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

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