MnHO2
manganite · gamma-MnOOH
MnHO2 is a semiconducting manganese-based oxyhydroxide utilized as a catalyst in oxygen-evolution reactions.
About manganite
MnHO2 is a semiconducting manganese oxyhydroxide that plays a significant role in the field of oxide oxygen-evolution catalysts. Its electronic properties and structural flexibility make it a subject of interest for researchers investigating efficient electrochemical water splitting and energy conversion processes.
As a near-hull material, it is considered likely to be synthesizable, bridging the gap between theoretical prediction and experimental application. With numerous reported structures, it represents a well-documented candidate for advanced catalytic surfaces where stability and activity are paramount.
Key Properties
Cross-validated computational properties for manganite, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of MnHO2. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for MnHO2, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 0.00 | 0.0000 | -1.483 | — |
| Pnma (No. 62) | orthorhombic | 1.74 | 0.0044 | -7.348 | 4.17 |
| — | — | 0.61 | 0.0049 | -1.703 | — |
| Pmn21 (No. 31) | orthorhombic | 0.00 | 0.0056 | -7.346 | 4.34 |
| Pnma (No. 62) | orthorhombic | 0.00 | 0.0062 | -1.477 | — |
| Pmn21 (No. 31) | orthorhombic | 0.00 | 0.0068 | -1.476 | — |
| P21/c (No. 14) | monoclinic | 0.00 | 0.0077 | -7.344 | 4.33 |
| — | — | 0.49 | 0.0078 | -1.700 | — |
| Pnma (No. 62) | orthorhombic | 0.00 | 0.0113 | -1.472 | — |
| Pnma (No. 62) | orthorhombic | 0.00 | 0.0127 | -1.470 | — |
| Cm (No. 8) | monoclinic | 1.96 | 0.0128 | -7.339 | 3.94 |
| — | — | 0.25 | 0.0144 | -1.693 | — |
Applications
Where manganite is used.
Frequently Asked Questions
Common questions about manganite, answered from cross-validated data.
What is MnHO2?
MnHO2 is a semiconducting manganese-based oxyhydroxide utilized as a catalyst in oxygen-evolution reactions.
What is MnHO2 used for?
What is the band gap of MnHO2?
Is MnHO2 a metal, semiconductor, or insulator?
Is MnHO2 thermodynamically stable?
What is the crystal structure of MnHO2?
What is the density of MnHO2?
How many polymorphs of MnHO2 are known?
What elements does MnHO2 contain?
Where does the data for MnHO2 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the diverse family of oxide oxygen-evolution catalysts, MnHO2 offers a distinct structural profile compared to complex transition metal oxides like LaMnO3 or LiCoO2. While materials such as NiO are frequently utilized for their robust surface activity, MnHO2 provides a unique manganese-based framework that allows for different coordination environments, making it a versatile alternative to the more rigid perovskite or spinel structures found in the class.
Related Compounds
Other Oxide Oxygen-Evolution Catalysts in the database.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
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