MgMoO4
magnesium molybdate
Magnesium molybdate is a stable, insulating oxide compound primarily utilized in catalytic and materials science research.
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.
Key Properties
Cross-validated computational properties for magnesium molybdate, aggregated across 5 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of MgMoO4. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for MgMoO4, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| — | — | 4.17 | 0.0000 | -2.573 | — |
| C2/m (No. 12) | monoclinic | 3.78 | 0.0000 | -7.784 | 3.82 |
| — | — | 3.61 | 0.0115 | -2.561 | — |
| — | — | 3.70 | 0.0332 | -2.540 | — |
| — | — | 2.45 | 0.0528 | -2.520 | — |
| — | — | 2.40 | 0.1217 | -2.451 | — |
| C2/m (No. 12) | monoclinic | — | — | — | 3.99 |
| C2/m (No. 12) | monoclinic | — | — | — | 3.85 |
| C2/m (No. 12) | monoclinic | — | — | — | 3.73 |
| C2/m (No. 12) | monoclinic | — | — | — | — |
| C2/m (No. 12) | monoclinic | — | — | — | 3.64 |
Synthesis Routes
Literature-extracted synthesis procedures targeting MgMoO4.
Applications
Where magnesium molybdate is used.
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.
What is MgMoO4 used for?
What is the band gap of MgMoO4?
Is MgMoO4 a metal, semiconductor, or insulator?
Is MgMoO4 thermodynamically stable?
What is the crystal structure of MgMoO4?
What is the density of MgMoO4?
How many polymorphs of MgMoO4 are known?
How is MgMoO4 synthesized?
What elements does MgMoO4 contain?
Where does the data for MgMoO4 come from?
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
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- nomad — Data from NOMAD (nomad-lab.eu). Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019). (CC-BY-4.0)
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