Mn5O8
Mn5O8 is a semiconducting manganese oxide material being researched as a high-capacity conversion anode for electrochemical energy storage.
About Mn5O8
Mn5O8 is a semiconducting binary oxide that functions as a conversion anode material. Its structural complexity and near-hull thermodynamic stability make it a subject of significant interest for researchers investigating alternative electrode chemistries for high-capacity energy storage systems. The material is characterized by a rich structural landscape, with numerous reported configurations across multiple databases, indicating a versatile framework for electrochemical activity. As a conversion oxide, it relies on the complete transformation of its metal-oxygen bonds during cycling to store charge, offering a pathway toward higher energy densities compared to traditional intercalation materials.
Key Properties
Cross-validated computational properties for Mn5O8, aggregated across 6 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 Mn5O8. 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 Mn5O8, 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. |
|---|---|---|---|---|---|
| — | — | 0.58 | 0.0088 | -1.950 | — |
| C2/m (No. 12) | monoclinic | 0.60 | 0.0132 | -8.525 | 4.93 |
| R-3m (No. 166) | trigonal | 0.00 | 0.0836 | -8.455 | 4.19 |
| R-3m (No. 166) | trigonal | 0.00 | 0.1220 | -1.654 | — |
| C2/m (No. 12) | monoclinic | 0.00 | 0.1475 | -1.629 | — |
| C2/m (No. 12) | monoclinic | 0.53 | — | -7.434 | 4.64 |
| C2/m (No. 12) | monoclinic | — | — | — | 4.92 |
| C2/m (No. 12) | monoclinic | — | — | -8.008 | 4.97 |
| R-3m (No. 166) | trigonal | — | — | — | 4.65 |
| C2/m (No. 12) | monoclinic | — | — | — | 4.93 |
| C2/m (No. 12) | monoclinic | — | — | — | 5.24 |
| C2/m (No. 12) | monoclinic | — | — | — | 4.71 |
Applications
Where Mn5O8 is used.
Frequently Asked Questions
Common questions about Mn5O8, answered from cross-validated data.
What is Mn5O8?
Mn5O8 is a semiconducting manganese oxide material being researched as a high-capacity conversion anode for electrochemical energy storage.
What is Mn5O8 used for?
What is the band gap of Mn5O8?
Is Mn5O8 a metal, semiconductor, or insulator?
Is Mn5O8 thermodynamically stable?
What is the crystal structure of Mn5O8?
What is the density of Mn5O8?
How many polymorphs of Mn5O8 are known?
What elements does Mn5O8 contain?
Where does the data for Mn5O8 come from?
How It Compares
Within the conversion oxide anodes class.
Within the class of conversion oxide anodes, Mn5O8 occupies a unique position alongside more common manganese-based oxides like MnO2 and Mn2O3. While MnO2 is widely recognized for its high theoretical capacity, Mn5O8 provides a distinct structural alternative that balances electrochemical performance with the thermodynamic stability required for practical synthesis and long-term cycling, distinguishing it from the more extensively studied iron-based oxides like Fe2O3 or Fe3O4.
Related Compounds
Other Conversion Oxide Anodes in the database.
Data sources & attribution
- 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)
- 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)
- aflow — Data from AFLOW (aflow.org). Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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