MnVO4
MnVO4 is a semiconducting oxide compound primarily investigated for its catalytic activity in oxygen-evolution processes.
About MnVO4
MnVO4 is a semiconducting oxide that functions as a catalyst for the oxygen-evolution reaction. Its structural complexity is evidenced by multiple reported configurations, reflecting its role as a material of interest in electrochemical energy conversion research. As a metastable phase, this compound offers unique pathways for charge transfer and surface reactivity. It is studied for its potential to facilitate efficient water splitting, contributing to the development of sustainable energy technologies.
Key Properties
Cross-validated computational properties for MnVO4, 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 MnVO4. 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 MnVO4, 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. |
|---|---|---|---|---|---|
| Cmmm (No. 65) | orthorhombic | 0.00 | 0.0000 | -2.218 | — |
| Imma (No. 74) | orthorhombic | 1.69 | 0.0253 | -8.520 | 4.24 |
| Cmcm (No. 63) | orthorhombic | 1.31 | 0.0297 | -8.516 | 3.71 |
| — | — | 0.45 | 0.1011 | -2.083 | — |
| — | — | 0.00 | 0.2963 | -1.888 | — |
| Cmcm (No. 63) | orthorhombic | — | — | — | 3.71 |
| Imma (No. 74) | orthorhombic | — | — | — | 3.84 |
| Cmcm (No. 63) | orthorhombic | — | — | — | 3.85 |
| Imma (No. 74) | orthorhombic | — | — | — | 4.23 |
| Cmcm (No. 63) | orthorhombic | — | — | — | 4.11 |
| Imma (No. 74) | orthorhombic | — | — | — | 3.95 |
Applications
Where MnVO4 is used.
Frequently Asked Questions
Common questions about MnVO4, answered from cross-validated data.
What is MnVO4?
MnVO4 is a semiconducting oxide compound primarily investigated for its catalytic activity in oxygen-evolution processes.
What is MnVO4 used for?
What is the band gap of MnVO4?
Is MnVO4 a metal, semiconductor, or insulator?
Is MnVO4 thermodynamically stable?
What is the crystal structure of MnVO4?
What is the density of MnVO4?
How many polymorphs of MnVO4 are known?
What elements does MnVO4 contain?
Where does the data for MnVO4 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the diverse landscape of oxide oxygen-evolution catalysts, MnVO4 occupies a distinct niche compared to more conventional materials like LiCoO2 or LaMnO3. While many of its class members are highly stable perovskites or spinel-structured oxides, MnVO4 exhibits metastability that can lead to unique catalytic surface behaviors not typically seen in the more robust, widely utilized NiO or LiMn2O4 systems.
Related Compounds
Other Oxide Oxygen-Evolution Catalysts in the database.
Data sources & attribution
- 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)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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