MnNi3O4
MnNi3O4 is a thermodynamically stable semiconducting oxide utilized in the development of oxygen-evolution catalysts.
About MnNi3O4
MnNi3O4 is a semiconducting oxide that sits on the convex hull, indicating significant thermodynamic stability. As a member of the oxygen-evolution catalyst class, its structural integrity and electronic properties make it a subject of interest for electrochemical energy conversion processes.
With numerous reported structures across major databases, this compound is well-characterized in the materials science community. Its specific arrangement of manganese, nickel, and oxygen atoms provides a distinct platform for exploring catalytic activity in aqueous environments.
Key Properties
Cross-validated computational properties for MnNi3O4, 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 MnNi3O4. 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 MnNi3O4, 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. |
|---|---|---|---|---|---|
| Cmmm (No. 65) | orthorhombic | 0.97 | 0.0601 | -7.148 | 6.19 |
| Pmmm (No. 47) | orthorhombic | 0.64 | 0.0622 | -7.146 | 6.18 |
| Pmmm (No. 47) | orthorhombic | 0.00 | 0.2807 | -0.853 | — |
| Cmmm (No. 65) | orthorhombic | 0.00 | 0.2844 | -0.850 | — |
| Cmmm (No. 65) | orthorhombic | 0.00 | 0.2844 | -0.850 | — |
| Pmmm (No. 47) | orthorhombic | — | — | — | 6.56 |
| Cmmm (No. 65) | orthorhombic | — | — | — | 6.41 |
| Pmmm (No. 47) | orthorhombic | — | — | — | 6.18 |
| Pmmm (No. 47) | orthorhombic | — | — | — | 6.41 |
| Cmmm (No. 65) | orthorhombic | — | — | — | 6.55 |
| Cmmm (No. 65) | orthorhombic | — | — | — | 6.19 |
Applications
Where MnNi3O4 is used.
Frequently Asked Questions
Common questions about MnNi3O4, answered from cross-validated data.
What is MnNi3O4?
MnNi3O4 is a thermodynamically stable semiconducting oxide utilized in the development of oxygen-evolution catalysts.
What is MnNi3O4 used for?
What is the band gap of MnNi3O4?
Is MnNi3O4 a metal, semiconductor, or insulator?
Is MnNi3O4 thermodynamically stable?
What is the crystal structure of MnNi3O4?
What is the density of MnNi3O4?
How many polymorphs of MnNi3O4 are known?
What elements does MnNi3O4 contain?
Where does the data for MnNi3O4 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the diverse family of oxygen-evolution catalysts, MnNi3O4 occupies a distinct position compared to simpler binary oxides like NiO or complex layered structures such as LiNiO2 and LiCoO2. While materials like LaMnO3 and LaNiO3 are frequently studied for their perovskite-based catalytic performance, MnNi3O4 offers a different compositional balance that distinguishes its electrochemical behavior from the more common lithium-based intercalation oxides.
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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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