MnVO4

MnVO4 is a semiconducting oxide compound primarily investigated for its catalytic activity in oxygen-evolution processes.

Crystal structure of MnVO4 (orthorhombic, Imma (No. 74))
Ground-state structure · Materials Project
Overview

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.

At a glance

Key Properties

Cross-validated computational properties for MnVO4, aggregated across 3 databases.

Band Gap

1.19–1.69 eV
Range across DFT structures

Energy Above Hull

0.025 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

10
3 databases, 3 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for MnVO4, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Imma (No. 74)orthorhombic1.190.0253-8.5204.24
Cmcm (No. 63)orthorhombic1.280.0297-8.5163.71
Imma (No. 74)orthorhombic1.690.0829-8.4633.84
Imma (No. 74)Orthorhombic3.84
Imma (No. 74)Orthorhombic4.23
Imma (No. 74)Orthorhombic3.95
Cmmm (No. 65)
Cmcm (No. 63)Orthorhombic3.85
Cmcm (No. 63)Orthorhombic3.71
Cmcm (No. 63)Orthorhombic4.11
Uses

Applications

Where MnVO4 is used.

Oxygen-evolution catalysisElectrochemical energy conversionWater splitting research
Reference

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.

More questions
What is MnVO4 used for?
MnVO4 is used in oxygen-evolution catalysis, electrochemical energy conversion, and water splitting research.
What is the band gap of MnVO4?
MnVO4 has a DFT-computed band gap of 1.19–1.69 eV across 10 reported structures.
Is MnVO4 a metal, semiconductor, or insulator?
With a band gap up to 1.69 eV it is a semiconductor.
Is MnVO4 thermodynamically stable?
MnVO4 has a lowest energy above hull of 0.025 eV/atom (metastable).
What is the crystal structure of MnVO4?
The lowest-energy reported polymorph of MnVO4 is orthorhombic symmetry, space group Imma (No. 74).
What is the density of MnVO4?
The computed density of the ground-state structure of MnVO4 is 4.24 g/cm³.
How many polymorphs of MnVO4 are known?
10 structures of MnVO4 are reported across 3 databases, spanning 3 distinct space groups.
What elements does MnVO4 contain?
MnVO4 contains Mn, O, and V (3 elements).
Where does the data for MnVO4 come from?
MnVO4 data is cross-referenced from materials_project, mpaloe, jarvis.
Comparison

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.

Explore

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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