Mn5VO12
Mn5VO12 is a metastable, semiconducting oxide material investigated for its potential role in catalyzing oxygen evolution reactions.
About Mn5VO12
Mn5VO12 is a complex oxide belonging to the class of oxygen-evolution catalysts. As a semiconducting material, it offers unique electronic properties that are of significant interest for advancing electrochemical water-splitting technologies. Its metastable nature makes it a compelling subject for researchers aiming to tune catalytic activity through structural manipulation.
The compound is characterized by a diverse structural landscape, supported by multiple reported configurations across materials databases. This structural flexibility is vital for its potential utility in catalytic environments, where the arrangement of manganese and vanadium sites can influence reaction kinetics and surface stability during oxygen evolution.
Key Properties
Cross-validated computational properties for Mn5VO12, 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 Mn5VO12, 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 | 1.10 | 0.0799 | -8.219 | 4.04 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.04 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.53 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.23 |
| C2/m (No. 12) | — | — | — | — | — |
Applications
Where Mn5VO12 is used.
Frequently Asked Questions
Common questions about Mn5VO12, answered from cross-validated data.
What is Mn5VO12?
Mn5VO12 is a metastable, semiconducting oxide material investigated for its potential role in catalyzing oxygen evolution reactions.
What is Mn5VO12 used for?
What is the band gap of Mn5VO12?
Is Mn5VO12 a metal, semiconductor, or insulator?
Is Mn5VO12 thermodynamically stable?
What is the crystal structure of Mn5VO12?
What is the density of Mn5VO12?
How many polymorphs of Mn5VO12 are known?
What elements does Mn5VO12 contain?
Where does the data for Mn5VO12 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the broad family of oxygen-evolution catalysts, Mn5VO12 occupies a distinct niche compared to more conventional, highly stable oxides like NiO or LiCoO2. While materials such as LaMnO3 and LiMn2O4 are widely recognized for their robust performance in energy storage and catalysis, Mn5VO12 stands out due to its metastable electronic profile, offering a different pathway for surface reactivity that contrasts with the more thermodynamically settled structures found in the rest of the class.
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).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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