Mn3ZnO7
Mn3ZnO7 is a semiconducting mixed-metal oxide being researched for its potential as a catalyst in oxygen-evolution reactions.
About Mn3ZnO7
Mn3ZnO7 is a complex oxide belonging to the class of oxygen-evolution catalysts. As a semiconducting material, it exhibits electronic properties that are highly relevant for electrochemical energy conversion processes, particularly in facilitating the oxygen-evolution reaction at the electrode interface.
The compound is characterized as being near the thermodynamic hull, suggesting that it is a viable candidate for experimental synthesis. With multiple reported structures across various databases, it represents a flexible platform for researchers investigating the interplay between transition metal oxidation states and catalytic efficiency.
Key Properties
Cross-validated computational properties for Mn3ZnO7, 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 Mn3ZnO7, 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 | 0.00 | 0.0070 | -7.578 | 4.86 |
| R-3 (No. 148) | trigonal | 1.89 | 0.0750 | -7.510 | 3.62 |
| Pnma (No. 62) | orthorhombic | 0.00 | 0.3204 | -7.265 | 4.19 |
| R-3 (No. 148) | Trigonal | — | — | — | 4.60 |
| R-3 (No. 148) | Trigonal | — | — | — | 5.14 |
| R-3 (No. 148) | Trigonal | — | — | — | 4.83 |
| R-3 (No. 148) | — | — | — | — | — |
| R-3 (No. 148) | Trigonal | — | — | — | 3.82 |
| R-3 (No. 148) | Trigonal | — | — | — | 3.62 |
| R-3 (No. 148) | Trigonal | — | — | — | 4.07 |
Applications
Where Mn3ZnO7 is used.
Frequently Asked Questions
Common questions about Mn3ZnO7, answered from cross-validated data.
What is Mn3ZnO7?
Mn3ZnO7 is a semiconducting mixed-metal oxide being researched for its potential as a catalyst in oxygen-evolution reactions.
What is Mn3ZnO7 used for?
What is the band gap of Mn3ZnO7?
Is Mn3ZnO7 a metal, semiconductor, or insulator?
Is Mn3ZnO7 thermodynamically stable?
What is the crystal structure of Mn3ZnO7?
What is the density of Mn3ZnO7?
How many polymorphs of Mn3ZnO7 are known?
What elements does Mn3ZnO7 contain?
Where does the data for Mn3ZnO7 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the broader class of oxygen-evolution catalysts, Mn3ZnO7 occupies a unique space compared to well-established materials like LiMn2O4 or LaMnO3. While many of its siblings rely on common perovskite or spinel frameworks, Mn3ZnO7 offers a distinct structural arrangement that may provide alternative active sites for catalytic activity, positioning it as a specialized subject for comparative studies against more traditional oxides like 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).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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