Mn2HO4
Mn2HO4 is a semiconducting manganese-based oxide designed for use as a catalyst in oxygen-evolution reactions.
About Mn2HO4
Mn2HO4 is a semiconducting oxide that functions as a catalyst for the oxygen-evolution reaction. Its electronic properties and structural configuration make it a compelling candidate for electrochemical applications where efficient charge transfer is required for water splitting processes. Because it is positioned near the thermodynamic hull, this compound is considered a viable target for experimental synthesis and further materials discovery. The material benefits from a relatively high degree of structural data availability, providing a solid foundation for researchers exploring its potential in renewable energy technologies. Its role as an oxide catalyst aligns it with broader efforts to replace expensive precious metal catalysts with more abundant transition metal-based alternatives.
Key Properties
Cross-validated computational properties for Mn2HO4, 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 Mn2HO4, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 1.08 | 0.0201 | -7.685 | 4.07 |
| Pmc21 (No. 26) | orthorhombic | 0.16 | 0.0278 | -7.677 | 4.17 |
| Cc (No. 9) | monoclinic | 0.09 | 0.0346 | -7.670 | 4.35 |
| P1 (No. 1) | triclinic | 0.36 | 0.0432 | -7.662 | 3.68 |
| P42/n (No. 86) | tetragonal | 0.43 | 0.0453 | -7.659 | 3.68 |
| Pmc21 (No. 26) | — | — | — | — | — |
| Pnma (No. 62) | Orthorhombic | — | — | — | 3.79 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 4.21 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 3.99 |
| Pmc21 (No. 26) | Orthorhombic | — | — | — | 4.17 |
| Pmc21 (No. 26) | Orthorhombic | — | — | — | 4.45 |
| Pmc21 (No. 26) | Orthorhombic | — | — | — | 4.74 |
Applications
Where Mn2HO4 is used.
Frequently Asked Questions
Common questions about Mn2HO4, answered from cross-validated data.
What is Mn2HO4?
Mn2HO4 is a semiconducting manganese-based oxide designed for use as a catalyst in oxygen-evolution reactions.
What is Mn2HO4 used for?
What is the band gap of Mn2HO4?
Is Mn2HO4 a metal, semiconductor, or insulator?
Is Mn2HO4 thermodynamically stable?
What is the crystal structure of Mn2HO4?
What is the density of Mn2HO4?
How many polymorphs of Mn2HO4 are known?
What elements does Mn2HO4 contain?
Where does the data for Mn2HO4 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the diverse class of oxygen-evolution catalysts, Mn2HO4 occupies a unique niche compared to well-established battery materials like LiMn2O4 or LiCoO2. While many of its peers, such as LaMnO3 or NiO, are widely characterized for their specific catalytic pathways, Mn2HO4 represents a more specialized structural arrangement that offers distinct electronic advantages for electrochemical performance.
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).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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