AlCr2O4

AlCr2O4 is a semiconducting spinel oxide that serves as a research material for exploring catalytic properties and complex transition metal oxide structures.

Crystal structure of AlCr2O4
Ground-state structure · Materials Project
Overview

About AlCr2O4

AlCr2O4 is a complex oxide belonging to the spinel family, characterized by its semiconducting electronic nature. Its structural framework allows for diverse coordination environments, making it a subject of interest for researchers investigating catalytic surface chemistry and transition metal behavior. While it exhibits multiple reported structural configurations, it is often categorized as a metastable phase due to its position relative to the thermodynamic ground state. This instability is a critical factor in its synthesis and potential application in high-performance catalytic systems where phase control is essential.

At a glance

Key Properties

Cross-validated computational properties for AlCr2O4, aggregated across 3 databases.

Band Gap

2.06 eV
Range across DFT structures

Energy Above Hull

0.127 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

9
3 databases, 3 space groups
Uses

Applications

Where AlCr2O4 is used.

Catalysis researchMaterials science studiesSolid-state chemistry investigations
Reference

Frequently Asked Questions

Common questions about AlCr2O4, answered from cross-validated data.

What is AlCr2O4?

AlCr2O4 is a semiconducting spinel oxide that serves as a research material for exploring catalytic properties and complex transition metal oxide structures.

More questions
What is AlCr2O4 used for?
AlCr2O4 is used in catalysis research, materials science studies, and solid-state chemistry investigations.
What is the band gap of AlCr2O4?
AlCr2O4 has a DFT-computed band gap of 2.06 eV across 9 reported structures.
Is AlCr2O4 a metal, semiconductor, or insulator?
With a band gap up to 2.06 eV it is a semiconductor.
Is AlCr2O4 thermodynamically stable?
AlCr2O4 has a lowest energy above hull of 0.127 eV/atom (above hull).
How many polymorphs of AlCr2O4 are known?
9 structures of AlCr2O4 are reported across 3 databases, spanning 3 distinct space groups.
What elements does AlCr2O4 contain?
AlCr2O4 contains Al, Cr, and O (3 elements).
Where does the data for AlCr2O4 come from?
AlCr2O4 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the spinel oxide catalysts class.

Within the broader class of spinel oxides and related transition metal oxides, AlCr2O4 occupies a unique position compared to highly stable, widely used insulators like MgAl2O4. While MgAl2O4 serves as a robust structural archetype, AlCr2O4 presents a more complex electronic landscape due to the presence of chromium, placing it closer in functional character to active perovskite-type catalysts like LaMnO3 or LaNiO3 rather than simple binary oxides like ZnO or NiO.

Explore

Related Compounds

Other Spinel Oxide Catalysts in the database.

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

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