Mn3O4
Hausmannite · trimanganese tetroxide
Mn3O4 is a stable semiconducting manganese oxide widely researched as a high-capacity anode material for lithium-ion batteries.
About Hausmannite
Mn3O4 is a naturally occurring semiconducting oxide known for its robust thermodynamic stability. As a member of the spinel-structured conversion oxide family, it is highly valued for its ability to store significant amounts of charge through reversible conversion reactions during electrochemical cycling. Its structural integrity makes it a subject of extensive investigation for energy storage applications. Researchers frequently study this material to overcome the volume expansion challenges typically associated with metal oxide anodes. By leveraging its stable crystal lattice, scientists aim to improve the cycle life and power density of advanced battery systems.
Key Properties
Cross-validated computational properties for Hausmannite, 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 Mn3O4. 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 Mn3O4, 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. |
|---|---|---|---|---|---|
| — | — | 0.81 | 0.0000 | -2.073 | — |
| I41/amd (No. 141) | tetragonal | 0.81 | 0.0000 | -8.804 | 4.89 |
| I41/amd (No. 141) | tetragonal | 0.00 | 0.0114 | -1.672 | — |
| — | — | 0.00 | 0.0212 | -2.052 | — |
| Pbcm (No. 57) | orthorhombic | 0.00 | 0.0247 | -1.659 | — |
| Pbcm (No. 57) | orthorhombic | 0.00 | 0.0252 | -1.658 | — |
| — | — | 0.35 | 0.0465 | -2.027 | — |
| Pbcm (No. 57) | orthorhombic | 0.00 | 0.0525 | -8.752 | 5.11 |
| Pmc21 (No. 26) | orthorhombic | 0.83 | 0.0550 | -8.749 | 5.09 |
| — | — | 0.00 | 0.0588 | -2.015 | — |
| — | — | 0.68 | 0.1375 | -1.936 | — |
| P21 (No. 4) | monoclinic | 0.00 | 0.1861 | -8.618 | 3.06 |
Synthesis Routes
Literature-extracted synthesis procedures targeting Mn3O4.
Applications
Where Hausmannite is used.
Patent Landscape
1 patent reference Mn3O4 or close compositional variants.
| Patent | Title | Assignee | Granted |
|---|---|---|---|
| 6517803 | Highly crystalline Mn2O3 or Mn3O4 manganese oxides | — | — |
Frequently Asked Questions
Common questions about Hausmannite, answered from cross-validated data.
What is Mn3O4?
Mn3O4 is a stable semiconducting manganese oxide widely researched as a high-capacity anode material for lithium-ion batteries.
What is Mn3O4 used for?
What is the band gap of Mn3O4?
Is Mn3O4 a metal, semiconductor, or insulator?
Is Mn3O4 thermodynamically stable?
What is the crystal structure of Mn3O4?
What is the density of Mn3O4?
How many polymorphs of Mn3O4 are known?
How is Mn3O4 synthesized?
What elements does Mn3O4 contain?
Where does the data for Mn3O4 come from?
How It Compares
Within the conversion oxide anodes class.
Within the broad class of conversion oxide anodes, Mn3O4 occupies a unique position alongside siblings like Co3O4 and Fe3O4 due to its specific spinel architecture. While materials such as CuO and SnO2 are often highlighted for their high theoretical capacities, Mn3O4 offers a favorable balance of stability and electrochemical activity, making it a reliable candidate for comparative studies on reaction kinetics and structural degradation mechanisms.
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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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