MnZnO3
MnZnO3 is a semiconducting oxide material investigated for its potential role in catalyzing oxygen-evolution reactions.
About MnZnO3
MnZnO3 is a semiconducting oxide that functions as a catalyst for the oxygen-evolution reaction. Its electronic properties and structural configuration make it an intriguing candidate for sustainable energy conversion technologies, where efficient water splitting is essential for hydrogen production.
As a material identified as being near the thermodynamic hull, MnZnO3 is considered a viable target for experimental synthesis. Its presence in multiple structural databases highlights its potential utility in electrochemical systems, bridging the gap between theoretical modeling and practical device integration.
Key Properties
Cross-validated computational properties for MnZnO3, 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 MnZnO3, 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. |
|---|---|---|---|---|---|
| R-3 (No. 148) | trigonal | 1.79 | 0.0058 | -6.867 | 5.73 |
| Pnma (No. 62) | orthorhombic | 0.12 | 0.0984 | -6.774 | 5.73 |
| Pm-3m (No. 221) | cubic | 0.00 | 0.5612 | -6.311 | 5.35 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 5.73 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 6.38 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 6.07 |
| R-3 (No. 148) | Trigonal | — | — | — | 5.43 |
| R-3 (No. 148) | Trigonal | — | — | — | 6.02 |
| R-3 (No. 148) | Trigonal | — | — | — | 5.72 |
| Pm-3m (No. 221) | — | — | — | — | — |
| Pnma (No. 62) | — | — | — | — | — |
| R-3 (No. 148) | — | — | — | — | — |
Applications
Where MnZnO3 is used.
Frequently Asked Questions
Common questions about MnZnO3, answered from cross-validated data.
What is MnZnO3?
MnZnO3 is a semiconducting oxide material investigated for its potential role in catalyzing oxygen-evolution reactions.
What is MnZnO3 used for?
What is the band gap of MnZnO3?
Is MnZnO3 a metal, semiconductor, or insulator?
Is MnZnO3 thermodynamically stable?
What is the crystal structure of MnZnO3?
What is the density of MnZnO3?
How many polymorphs of MnZnO3 are known?
What elements does MnZnO3 contain?
Where does the data for MnZnO3 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the diverse landscape of oxide oxygen-evolution catalysts, MnZnO3 occupies a distinct niche compared to well-established transition metal oxides like NiO or perovskite-structured LaMnO3. While many of its class members are widely utilized in commercial battery or catalytic applications, MnZnO3 offers a unique compositional profile that provides researchers with a different electronic environment for tuning catalytic activity.
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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