MnV2O4
manganese vanadium oxide
MnV2O4 is a semiconducting manganese vanadium oxide that is investigated for its potential utility as an oxygen-evolution catalyst.
About manganese vanadium oxide
MnV2O4 is a semiconducting oxide that belongs to the group of oxygen-evolution catalysts. Its electronic structure and composition make it an interesting candidate for research into electrochemical energy conversion processes where stable, transition-metal-based materials are required. Being near the thermodynamic hull, this compound is considered a viable target for experimental synthesis and structural characterization. The material has been documented across multiple databases, reflecting its status as a subject of ongoing interest in solid-state chemistry. It serves as a platform for investigating how the interplay between manganese and vanadium ions influences catalytic performance in oxidative environments.
Key Properties
Cross-validated computational properties for manganese vanadium oxide, 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 MnV2O4. 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 MnV2O4, 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. |
|---|---|---|---|---|---|
| — | — | 0.64 | 0.0000 | -2.513 | — |
| R3m (No. 160) | trigonal | 0.13 | 0.0225 | -9.100 | 4.62 |
| Fd-3m (No. 227) | cubic | 0.00 | 0.0547 | -2.161 | — |
| Pnma (No. 62) | orthorhombic | 0.85 | 0.0666 | -9.056 | 4.92 |
| Fd-3m (No. 227) | cubic | 0.00 | 0.0678 | -9.055 | 4.45 |
| — | — | 0.00 | 0.0690 | -2.444 | — |
| P-1 (No. 2) | triclinic | 0.00 | 3.1566 | -5.966 | 4.45 |
| Fd-3m (No. 227) | cubic | — | — | — | 4.74 |
| Pnma (No. 62) | orthorhombic | — | — | — | 5.49 |
| Fd-3m (No. 227) | cubic | — | — | — | 4.45 |
| Pnma (No. 62) | orthorhombic | — | — | — | 4.92 |
| Fd-3m (No. 227) | cubic | — | — | — | 4.75 |
Synthesis Routes
Literature-extracted synthesis procedures targeting MnV2O4.
Applications
Where manganese vanadium oxide is used.
Frequently Asked Questions
Common questions about manganese vanadium oxide, answered from cross-validated data.
What is MnV2O4?
MnV2O4 is a semiconducting manganese vanadium oxide that is investigated for its potential utility as an oxygen-evolution catalyst.
What is MnV2O4 used for?
What is the band gap of MnV2O4?
Is MnV2O4 a metal, semiconductor, or insulator?
Is MnV2O4 thermodynamically stable?
What is the crystal structure of MnV2O4?
How many polymorphs of MnV2O4 are known?
How is MnV2O4 synthesized?
What elements does MnV2O4 contain?
Where does the data for MnV2O4 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the broader class of oxygen-evolution catalysts, MnV2O4 occupies a distinct niche compared to well-established battery materials like LiCoO2 or LiMn2O4. While compounds such as LaMnO3 and NiO are frequently utilized as benchmarks for catalytic activity, MnV2O4 offers a different structural and electronic profile that allows researchers to explore the effects of vanadium incorporation on surface reactivity and charge transport.
Related Compounds
Other Oxide Oxygen-Evolution Catalysts in the database.
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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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