MnV2O6
MnV2O6 is a stable, semiconducting transition metal oxide used primarily as a catalyst for oxygen-evolution reactions.
About MnV2O6
MnV2O6 is a semiconducting oxide that sits firmly on the thermodynamic convex hull, indicating exceptional structural stability. As a member of the transition metal vanadate family, it plays a vital role in electrochemical research, particularly in the development of efficient oxygen-evolution catalysts.
This compound is highly regarded for its structural versatility, supported by a significant number of reported crystal structures. Its electronic nature makes it a compelling candidate for applications where stable, active catalytic surfaces are required for energy conversion processes.
Key Properties
Cross-validated computational properties for MnV2O6, 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 MnV2O6. 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 MnV2O6, 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. |
|---|---|---|---|---|---|
| C2/m (No. 12) | monoclinic | 1.85 | 0.0000 | -8.669 | 3.30 |
| C2/c (No. 15) | monoclinic | 1.97 | 0.0012 | -8.668 | 3.39 |
| — | — | 1.20 | 0.0119 | -2.317 | — |
| C2/m (No. 12) | monoclinic | 1.62 | 0.0129 | -8.656 | 4.20 |
| — | — | 1.04 | 0.0165 | -2.312 | — |
| — | — | 0.00 | 0.0208 | -2.308 | — |
| — | — | 1.32 | 0.0212 | -2.307 | — |
| C2/m (No. 12) | monoclinic | 0.11 | 0.0240 | -2.308 | — |
| C2/c (No. 15) | monoclinic | 0.67 | 0.0311 | -2.301 | — |
| — | — | 0.56 | 0.0483 | -2.280 | — |
| C2/m (No. 12) | monoclinic | — | — | — | 4.21 |
| C2/c (No. 15) | monoclinic | — | — | — | 3.44 |
Synthesis Routes
Literature-extracted synthesis procedures targeting MnV2O6.
Applications
Where MnV2O6 is used.
Frequently Asked Questions
Common questions about MnV2O6, answered from cross-validated data.
What is MnV2O6?
MnV2O6 is a stable, semiconducting transition metal oxide used primarily as a catalyst for oxygen-evolution reactions.
What is MnV2O6 used for?
What is the band gap of MnV2O6?
Is MnV2O6 a metal, semiconductor, or insulator?
Is MnV2O6 thermodynamically stable?
What is the crystal structure of MnV2O6?
What is the density of MnV2O6?
How many polymorphs of MnV2O6 are known?
How is MnV2O6 synthesized?
What elements does MnV2O6 contain?
Where does the data for MnV2O6 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Unlike the widely utilized lithium-based intercalation oxides such as LiCoO2 or LiMn2O4, MnV2O6 functions primarily as a catalytic oxide rather than a battery cathode material. While it shares the transition metal oxide classification with materials like LaMnO3 and NiO, its unique vanadium-rich framework offers distinct catalytic pathways for oxygen evolution that differ from the perovskite-structured members of this class.
Related Compounds
Other Oxide Oxygen-Evolution Catalysts in the database.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- 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)
- 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)
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