MnIn2O4
MnIn2O4 is a semiconducting ternary oxide compound studied for its potential role in catalyzing the oxygen-evolution reaction.
About MnIn2O4
MnIn2O4 is a semiconducting ternary oxide that belongs to the class of oxygen-evolution catalysts. Its electronic structure and near-hull thermodynamic stability make it a compelling candidate for fundamental research into efficient water-splitting technologies and electrochemical energy conversion systems.
As a material with multiple reported structural variations, it offers a versatile platform for investigating catalytic surface activity. Its composition of manganese and indium oxides positions it as a specialized alternative in the search for stable, earth-abundant materials capable of facilitating the oxygen-evolution reaction.
Key Properties
Cross-validated computational properties for MnIn2O4, 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 MnIn2O4. 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 MnIn2O4, 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. |
|---|---|---|---|---|---|
| — | — | 1.08 | 0.0000 | -1.918 | — |
| — | — | 1.13 | 0.0004 | -1.918 | — |
| — | — | 1.08 | 0.0012 | -1.917 | — |
| Fd-3m (No. 227) | cubic | 0.89 | 0.0082 | -6.921 | 6.26 |
| Fd-3m (No. 227) | cubic | 0.07 | 0.0389 | -1.622 | — |
| Fd-3m (No. 227) | cubic | — | — | — | 6.34 |
| P-1 (No. 2) | triclinic | — | — | — | 6.05 |
| P-1 (No. 2) | triclinic | — | — | — | 7.02 |
| Fd-3m (No. 227) | cubic | — | — | — | 5.99 |
| P-1 (No. 2) | triclinic | — | — | — | 4.96 |
| Fd-3m (No. 227) | cubic | — | — | — | 6.47 |
| Fd-3m (No. 227) | cubic | — | — | — | 6.24 |
Synthesis Routes
Literature-extracted synthesis procedures targeting MnIn2O4.
Applications
Where MnIn2O4 is used.
Frequently Asked Questions
Common questions about MnIn2O4, answered from cross-validated data.
What is MnIn2O4?
MnIn2O4 is a semiconducting ternary oxide compound studied for its potential role in catalyzing the oxygen-evolution reaction.
What is MnIn2O4 used for?
What is the band gap of MnIn2O4?
Is MnIn2O4 a metal, semiconductor, or insulator?
Is MnIn2O4 thermodynamically stable?
What is the crystal structure of MnIn2O4?
What is the density of MnIn2O4?
How many polymorphs of MnIn2O4 are known?
How is MnIn2O4 synthesized?
What elements does MnIn2O4 contain?
Where does the data for MnIn2O4 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the broader class of oxide catalysts, MnIn2O4 represents a distinct structural departure from the well-characterized layered transition metal oxides like LiCoO2 or LiNiO2. While materials such as LaMnO3 are frequently studied for their perovskite-based catalytic properties, MnIn2O4 provides a different coordination environment that may offer unique pathways for charge transfer during electrochemical processes.
Related Compounds
Other Oxide Oxygen-Evolution Catalysts 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)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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