Mn2Zn3O7
Mn2Zn3O7 is a metastable semiconducting oxide utilized in the development of oxygen-evolution catalysts for electrochemical energy systems.
About Mn2Zn3O7
Mn2Zn3O7 is a complex oxide belonging to the class of oxygen-evolution catalysts. As a semiconducting material, it exhibits electronic properties that are of significant interest for facilitating electrochemical reactions at the electrode-electrolyte interface. Its metastable nature suggests a high degree of structural flexibility, which can be leveraged to tune catalytic activity for specific energy conversion processes. Despite its complexity, the compound has been characterized across multiple structural databases, highlighting its relevance in contemporary materials research. Its utility lies in its ability to participate in oxygen-evolution reactions, making it a candidate for advanced energy storage and conversion technologies.
Key Properties
Cross-validated computational properties for Mn2Zn3O7, 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 Mn2Zn3O7, 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. |
|---|---|---|---|---|---|
| Cmc21 (No. 36) | orthorhombic | 0.34 | 0.0779 | -6.465 | 5.74 |
| Cmc21 (No. 36) | Orthorhombic | — | — | — | 5.74 |
| Cmc21 (No. 36) | Orthorhombic | — | — | — | 6.32 |
| Cmc21 (No. 36) | Orthorhombic | — | — | — | 6.05 |
| Cmc21 (No. 36) | — | — | — | — | — |
Applications
Where Mn2Zn3O7 is used.
Frequently Asked Questions
Common questions about Mn2Zn3O7, answered from cross-validated data.
What is Mn2Zn3O7?
Mn2Zn3O7 is a metastable semiconducting oxide utilized in the development of oxygen-evolution catalysts for electrochemical energy systems.
What is Mn2Zn3O7 used for?
What is the band gap of Mn2Zn3O7?
Is Mn2Zn3O7 a metal, semiconductor, or insulator?
Is Mn2Zn3O7 thermodynamically stable?
What is the crystal structure of Mn2Zn3O7?
What is the density of Mn2Zn3O7?
How many polymorphs of Mn2Zn3O7 are known?
What elements does Mn2Zn3O7 contain?
Where does the data for Mn2Zn3O7 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the broad family of oxide oxygen-evolution catalysts, Mn2Zn3O4 occupies a distinct niche compared to more conventional, highly stable materials like NiO or the layered lithium-based oxides such as LiCoO2 and LiNiO2. While many of its class members are characterized by high thermodynamic stability, Mn2Zn3O7 stands out for its metastable state, which may offer different kinetic pathways for catalytic activity compared to the more rigid perovskite structures like LaMnO3 or LaNiO3.
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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