Mg3WO6
Mg3WO6 is a metastable, wide-gap insulating oxide consisting of magnesium and tungsten that is primarily studied for its potential in specialized dielectric applications.
About Mg3WO6
Mg3WO6 is a complex oxide composed of magnesium, tungsten, and oxygen. As a wide-gap insulator, it exhibits electronic properties characteristic of highly stable dielectric materials, though it exists in a metastable state under standard conditions.
Its structural complexity is highlighted by its presence across multiple material databases, reflecting significant interest in its crystallographic arrangements. This compound serves as a subject of study for researchers looking to expand the library of functional oxide ceramics.
Key Properties
Cross-validated computational properties for Mg3WO6, aggregated across 3 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 Mg3WO6. 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 Mg3WO6, 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. |
|---|---|---|---|---|---|
| — | — | 3.48 | 0.0240 | -2.776 | — |
| P21/c (No. 14) | monoclinic | 3.08 | 0.0335 | -2.781 | — |
| Pa-3 (No. 205) | cubic | 3.93 | 0.0348 | -7.472 | 4.74 |
| P21/c (No. 14) | monoclinic | 3.59 | 0.0374 | -7.469 | 5.49 |
| — | — | 1.78 | 0.4915 | -2.309 | — |
| P21/c (No. 14) | monoclinic | — | — | — | 5.66 |
| P21/c (No. 14) | monoclinic | — | — | — | 5.49 |
| P21/c (No. 14) | monoclinic | — | — | — | 5.97 |
Applications
Where Mg3WO6 is used.
Frequently Asked Questions
Common questions about Mg3WO6, answered from cross-validated data.
What is Mg3WO6?
Mg3WO6 is a metastable, wide-gap insulating oxide consisting of magnesium and tungsten that is primarily studied for its potential in specialized dielectric applications.
What is Mg3WO6 used for?
What is the band gap of Mg3WO6?
Is Mg3WO6 a metal, semiconductor, or insulator?
Is Mg3WO6 thermodynamically stable?
What is the crystal structure of Mg3WO6?
What is the density of Mg3WO6?
How many polymorphs of Mg3WO6 are known?
What elements does Mg3WO6 contain?
Where does the data for Mg3WO6 come from?
How It Compares
As a member of the broader family of magnesium tungstates, Mg3WO6 occupies a unique niche due to its specific stoichiometry and metastable nature. It serves as a specialized example of how metal-oxygen frameworks can be tuned for insulating applications, providing a distinct structural alternative to more common, thermodynamically stable tungstate phases.
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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- 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.
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