Mn2VO4
Mn2VO4 is a metastable, semimetallic transition metal oxide investigated for its potential role as a catalyst in oxygen-evolution reactions.
About Mn2VO4
Mn2VO4 is a complex oxide characterized by its semimetallic electronic nature. As a metastable material, it represents a unique structural configuration within the broader family of transition metal oxides, offering distinct pathways for charge transfer in catalytic environments. Its electronic structure is of significant interest for researchers investigating non-traditional catalysts for electrochemical processes. The compound is primarily studied for its potential utility in oxygen-evolution reactions, where its specific electronic configuration may facilitate efficient surface interactions. By operating near the boundary of metallic and insulating behavior, it provides a specialized platform for exploring fundamental catalytic mechanisms in energy conversion technologies.
Key Properties
Cross-validated computational properties for Mn2VO4, 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.
Reported Structures
Lowest-energy structures reported for Mn2VO4, 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. |
|---|---|---|---|---|---|
| P1 (No. 1) | triclinic | 0.07 | 0.0423 | -8.943 | 4.50 |
| Cm (No. 8) | monoclinic | 0.00 | 0.0432 | -8.942 | 4.49 |
| P1 (No. 1) | triclinic | 0.00 | 0.0439 | -8.941 | 4.50 |
| R3m (No. 160) | trigonal | 0.00 | 0.0783 | -8.907 | 4.51 |
| R3m (No. 160) | — | — | — | — | — |
| R3m (No. 160) | Trigonal | — | — | — | 4.51 |
| R3m (No. 160) | Trigonal | — | — | — | 5.00 |
| R3m (No. 160) | Trigonal | — | — | — | 4.78 |
Applications
Where Mn2VO4 is used.
Frequently Asked Questions
Common questions about Mn2VO4, answered from cross-validated data.
What is Mn2VO4?
Mn2VO4 is a metastable, semimetallic transition metal oxide investigated for its potential role as a catalyst in oxygen-evolution reactions.
What is Mn2VO4 used for?
What is the band gap of Mn2VO4?
Is Mn2VO4 a metal, semiconductor, or insulator?
Is Mn2VO4 thermodynamically stable?
What is the crystal structure of Mn2VO4?
What is the density of Mn2VO4?
How many polymorphs of Mn2VO4 are known?
What elements does Mn2VO4 contain?
Where does the data for Mn2VO4 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the diverse class of oxide oxygen-evolution catalysts, Mn2VO4 occupies a distinct niche compared to more conventional materials like LiMn2O4 or LaMnO3. While many members of this group are characterized by stable, well-defined insulating or semiconducting states, Mn2VO4 is notable for its metastable nature and semimetallic character, setting it apart from the more robust, widely utilized perovskite and spinel oxides like LaNiO3 or NiO.
Related Compounds
Other Oxide Oxygen-Evolution Catalysts in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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