MgAl2O4

spinel · magnesium aluminate

MgAl2O4 is a highly stable, insulating magnesium aluminate spinel used extensively as a durable support material in industrial catalysis.

Crystal structure of MgAl2O4 (cubic, Fd-3m (No. 227))
Ground-state structure · Materials Project
Overview

About spinel

MgAl2O4 is a quintessential spinel oxide characterized by its exceptional thermodynamic stability and insulating electronic nature. As a highly structured material, it serves as a robust framework for catalytic processes where chemical and thermal resilience are paramount. Its well-defined crystal lattice makes it a reliable substrate for high-temperature applications and advanced material synthesis. Beyond its structural utility, the compound is valued for its mechanical hardness and chemical inertness, which allow it to function effectively in demanding industrial environments. It is frequently utilized as a support material in heterogeneous catalysis, providing a stable surface for active phases to interact with reactants without degrading under harsh conditions.

At a glance

Key Properties

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

Band Gap

2.71–5.11 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

41
4 databases, 12 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for MgAl2O4, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Fd-3m (No. 227)cubic5.110.0000-7.5003.58
R3m (No. 160)trigonal4.570.0074-7.4933.59
C2/m (No. 12)monoclinic4.460.0077-7.4933.47
Cm (No. 8)monoclinic3.810.0091-7.4913.59
P3m1 (No. 156)trigonal4.590.0100-7.4913.47
P3m1 (No. 156)trigonal4.120.0132-7.4873.59
R3m (No. 160)trigonal4.200.0165-7.4843.47
R3m (No. 160)trigonal4.280.0206-7.4803.47
P3m1 (No. 156)trigonal4.250.0270-7.4733.47
Cm (No. 8)monoclinic4.380.0271-7.4733.47
Cm (No. 8)monoclinic2.850.0315-7.4693.47
R3m (No. 160)trigonal4.030.0332-7.4673.48
Uses

Applications

Where spinel is used.

Catalyst supportRefractory ceramicsOptical materialsHumidity sensors
Reference

Frequently Asked Questions

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

What is MgAl2O4?

MgAl2O4 is a highly stable, insulating magnesium aluminate spinel used extensively as a durable support material in industrial catalysis.

More questions
What is MgAl2O4 used for?
spinel (MgAl2O4) is used in catalyst support, refractory ceramics, optical materials, and humidity sensors.
What is the band gap of MgAl2O4?
spinel (MgAl2O4) has a DFT-computed band gap of 2.71–5.11 eV across 41 reported structures.
Is MgAl2O4 a metal, semiconductor, or insulator?
With a wide band gap up to 5.11 eV it is an insulator / wide-band-gap material.
Is MgAl2O4 thermodynamically stable?
Yes — spinel (MgAl2O4) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of MgAl2O4?
The lowest-energy reported polymorph of spinel (MgAl2O4) is cubic symmetry, space group Fd-3m (No. 227).
What is the density of MgAl2O4?
The computed density of the ground-state structure of spinel (MgAl2O4) is 3.58 g/cm³.
How many polymorphs of MgAl2O4 are known?
41 structures of MgAl2O4 are reported across 4 databases, spanning 12 distinct space groups.
What elements does MgAl2O4 contain?
spinel (MgAl2O4) contains Al, Mg, and O (3 elements).
Where does the data for MgAl2O4 come from?
MgAl2O4 data is cross-referenced from materials_project, mpaloe.
Comparison

How It Compares

Within the spinel oxide catalysts class.

Unlike the transition metal-based oxides in its class such as CuO or NiO, which often exhibit narrow-gap semiconducting or metallic behavior, MgAl2O4 is a wide-gap insulator. While complex perovskites like LaMnO3 or BiFeO3 are frequently studied for their specific magnetic or ferroelectric properties, MgAl2O4 is prized primarily for its structural stability and lack of electronic interference, making it a superior choice for inert catalyst supports compared to more reactive oxides like ZnO or Al2O3.

Explore

Related Compounds

Other Spinel Oxide Catalysts in the database.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • mpaloe — Data from mpaloe.

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