K3Mn2O8
K3Mn2O8 is a semiconducting manganese-based oxide being studied for its potential role as a catalyst in oxygen-evolution reactions.
About K3Mn2O8
K3Mn2O8 is a complex oxide categorized within the oxygen-evolution catalyst class. As a semiconducting material, it exhibits electronic properties that are of significant interest for electrochemical energy conversion processes. Its structural configuration suggests a potential for active participation in redox reactions at the catalyst surface.
The compound is recognized for being near-hull in thermodynamic stability, indicating that it is a viable candidate for experimental synthesis and characterization. With multiple reported structures across various databases, it represents a well-documented subject for researchers investigating manganese-based oxides for sustainable energy applications.
Key Properties
Cross-validated computational properties for K3Mn2O8, aggregated across 5 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 K3Mn2O8, 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 | 0.13 | 0.0029 | -6.315 | 2.72 |
| R-3m (No. 166) | trigonal | 0.00 | 0.0071 | -6.310 | 2.96 |
| R-3m (No. 166) | — | — | — | — | — |
| — | — | — | — | — | 2.24 |
| R-3m (No. 166) | — | — | — | — | — |
| R-3m (No. 166) | Trigonal | — | — | — | 2.72 |
| R-3m (No. 166) | Trigonal | — | — | — | 2.96 |
| R-3m (No. 166) | Trigonal | — | — | — | 2.96 |
| R-3m (No. 166) | Trigonal | — | — | — | 2.96 |
| R-3m (No. 166) | Trigonal | — | — | — | 2.78 |
| R-3m (No. 166) | Trigonal | — | — | — | 2.91 |
| P21/m (No. 11) | Monoclinic | — | — | — | 2.72 |
Applications
Where K3Mn2O8 is used.
Frequently Asked Questions
Common questions about K3Mn2O8, answered from cross-validated data.
What is K3Mn2O8?
K3Mn2O8 is a semiconducting manganese-based oxide being studied for its potential role as a catalyst in oxygen-evolution reactions.
What is K3Mn2O8 used for?
What is the band gap of K3Mn2O8?
Is K3Mn2O8 a metal, semiconductor, or insulator?
Is K3Mn2O8 thermodynamically stable?
What is the crystal structure of K3Mn2O8?
What is the density of K3Mn2O8?
How many polymorphs of K3Mn2O8 are known?
What elements does K3Mn2O8 contain?
Where does the data for K3Mn2O8 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the diverse landscape of oxide oxygen-evolution catalysts, K3Mn2O8 occupies a distinct niche compared to more conventional battery materials like LiMn2O4 or LiCoO2. While many members of this class, such as LaMnO3 or NiO, are widely utilized for their robust performance in electrochemical cells, K3Mn2O8 offers a unique structural framework that differentiates it from the standard perovskite or layered transition metal oxide architectures found in its siblings.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- mpaloe — Data from mpaloe.
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