KMn2O4
KMn2O4 is a stable, semiconducting oxide material utilized in the development and study of oxygen-evolution catalysts for electrochemical applications.
About KMn2O4
KMn2O4 is a semiconducting oxide that sits on the thermodynamic convex hull, indicating high stability. As a member of the oxide oxygen-evolution catalyst class, it provides a robust structural framework for studying electrochemical water splitting processes. The material is characterized by significant structural variability, with numerous reported configurations across major materials databases. This structural richness makes it a compelling subject for researchers aiming to tune catalytic performance through atomic-scale modifications. Its role in the oxygen-evolution reaction is centered on its ability to facilitate electron transfer while maintaining chemical integrity under operating conditions.
Key Properties
Cross-validated computational properties for KMn2O4, aggregated across 4 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 KMn2O4. 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 KMn2O4, 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/m (No. 11) | monoclinic | 0.32 | 0.0000 | -7.572 | 3.75 |
| Pmma (No. 51) | orthorhombic | 0.00 | 0.0000 | -1.896 | — |
| P-1 (No. 2) | triclinic | 0.44 | 0.0005 | -7.572 | 3.74 |
| Pmma (No. 51) | orthorhombic | 0.00 | 0.0175 | -7.555 | 3.77 |
| P2/m (No. 10) | monoclinic | 0.00 | 0.0179 | -7.554 | 3.77 |
| P2/c (No. 13) | monoclinic | 0.92 | 0.0183 | -7.554 | 3.77 |
| Cm (No. 8) | monoclinic | 0.85 | 0.0185 | -7.553 | 3.52 |
| Cm (No. 8) | monoclinic | 0.00 | 0.0234 | -7.549 | 3.85 |
| P42/n (No. 86) | tetragonal | 0.04 | 0.1703 | -7.402 | 4.08 |
| — | — | 0.00 | 0.1721 | -1.728 | — |
| P-1 (No. 2) | triclinic | — | — | — | 3.55 |
| P-1 (No. 2) | triclinic | — | — | — | 3.90 |
Synthesis Routes
Literature-extracted synthesis procedures targeting KMn2O4.
Applications
Where KMn2O4 is used.
Frequently Asked Questions
Common questions about KMn2O4, answered from cross-validated data.
What is KMn2O4?
KMn2O4 is a stable, semiconducting oxide material utilized in the development and study of oxygen-evolution catalysts for electrochemical applications.
What is KMn2O4 used for?
What is the band gap of KMn2O4?
Is KMn2O4 a metal, semiconductor, or insulator?
Is KMn2O4 thermodynamically stable?
What is the crystal structure of KMn2O4?
What is the density of KMn2O4?
How many polymorphs of KMn2O4 are known?
How is KMn2O4 synthesized?
What elements does KMn2O4 contain?
Where does the data for KMn2O4 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the broader family of oxide oxygen-evolution catalysts, KMn2O4 occupies a distinct niche compared to well-known battery materials like LiMn2O4 or LiCoO2. While many of its siblings, such as LaMnO3 or NiO, are widely utilized for their specific electronic properties in catalysis, KMn2O4 offers a unique potassium-based framework that contrasts with the lithium-intercalation chemistry typically seen in its more common counterparts.
Related Compounds
Other Oxide Oxygen-Evolution Catalysts in the database.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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