MgMoO4

magnesium molybdate

Magnesium molybdate is a stable, insulating oxide compound primarily utilized in catalytic and materials science research.

MgMoO
Crystal structure of MgMoO4 (monoclinic, C2/m (No. 12))
Ground-state structure · Materials Project
Overview

About magnesium molybdate

Magnesium molybdate is a thermodynamically stable inorganic compound that exhibits insulating electronic characteristics. Its structural reliability and chemical composition make it a robust candidate for high-performance applications where material longevity is critical.

This compound is frequently investigated for its role in industrial catalysis and as a host material for phosphors. Due to its position on the convex hull, it remains a reliable subject for researchers exploring oxide-based systems with specific electronic properties.

At a glance

Key Properties

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

Band Gap

3.81 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

5
3 databases, 1 space group
Crystallography

Reported Structures

Lowest-energy structures reported for MgMoO4, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
C2/m (No. 12)monoclinic3.810.0000-7.7843.82
C2/m (No. 12)
C2/m (No. 12)Monoclinic3.64
C2/m (No. 12)Monoclinic3.99
C2/m (No. 12)Monoclinic3.73
Uses

Applications

Where magnesium molybdate is used.

CatalysisPhosphor host materialsSolid-state sensors
Reference

Frequently Asked Questions

Common questions about magnesium molybdate, answered from cross-validated data.

What is MgMoO4?

Magnesium molybdate is a stable, insulating oxide compound primarily utilized in catalytic and materials science research.

More questions
What is MgMoO4 used for?
magnesium molybdate (MgMoO4) is used in catalysis, phosphor host materials, and solid-state sensors.
What is the band gap of MgMoO4?
magnesium molybdate (MgMoO4) has a DFT-computed band gap of 3.81 eV across 5 reported structures.
Is MgMoO4 a metal, semiconductor, or insulator?
With a wide band gap up to 3.81 eV it is an insulator / wide-band-gap material.
Is MgMoO4 thermodynamically stable?
Yes — magnesium molybdate (MgMoO4) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of MgMoO4?
The lowest-energy reported polymorph of magnesium molybdate (MgMoO4) is monoclinic symmetry, space group C2/m (No. 12).
What is the density of MgMoO4?
The computed density of the ground-state structure of magnesium molybdate (MgMoO4) is 3.82 g/cm³.
How many polymorphs of MgMoO4 are known?
5 structures of MgMoO4 are reported across 3 databases, spanning 1 distinct space group.
What elements does MgMoO4 contain?
magnesium molybdate (MgMoO4) contains Mg, Mo, and O (3 elements).
Where does the data for MgMoO4 come from?
MgMoO4 data is cross-referenced from materials_project, nomad, mpaloe.
Comparison

How It Compares

As a distinct member of the molybdate family, magnesium molybdate serves as a fundamental reference point for understanding the structural and electronic behavior of divalent metal molybdates in solid-state chemistry.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
  • mpaloe — Data from mpaloe.

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