MnSi2O5
MnSi2O5 is a semiconducting manganese silicate oxide being studied for its potential role in catalytic oxygen-evolution reactions.
About MnSi2O5
MnSi2O5 is a semiconducting oxide that functions within the broader category of oxygen-evolution catalysts. Its structural composition, involving manganese and silicon, places it in a specialized niche of materials investigated for their electrochemical potential in energy conversion processes.
While this compound is currently classified as thermodynamically unstable relative to its constituent phases, its existence across multiple structural configurations highlights the complexity of manganese-based oxides. Understanding its electronic character is essential for researchers evaluating its viability in catalytic water-splitting applications.
Key Properties
Cross-validated computational properties for MnSi2O5, 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 MnSi2O5. 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 MnSi2O5, 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. |
|---|---|---|---|---|---|
| C2/c (No. 15) | monoclinic | 1.83 | 0.0620 | -2.482 | — |
| — | — | 3.81 | 0.0957 | -2.753 | — |
| C2/c (No. 15) | monoclinic | 2.22 | 0.1057 | -8.464 | 3.93 |
| C2/c (No. 15) | monoclinic | — | — | — | 4.10 |
| C2/c (No. 15) | monoclinic | — | — | — | 4.05 |
| C2/c (No. 15) | monoclinic | — | — | — | 3.93 |
| C2/c (No. 15) | monoclinic | — | — | — | 4.22 |
Applications
Where MnSi2O5 is used.
Frequently Asked Questions
Common questions about MnSi2O5, answered from cross-validated data.
What is MnSi2O5?
MnSi2O5 is a semiconducting manganese silicate oxide being studied for its potential role in catalytic oxygen-evolution reactions.
What is MnSi2O5 used for?
What is the band gap of MnSi2O5?
Is MnSi2O5 a metal, semiconductor, or insulator?
Is MnSi2O5 thermodynamically stable?
What is the crystal structure of MnSi2O5?
How many polymorphs of MnSi2O5 are known?
What elements does MnSi2O5 contain?
Where does the data for MnSi2O5 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Unlike highly stable and widely utilized class members such as LiMn2O4 or LaMnO3, MnSi2O5 is characterized by its position above the thermodynamic hull, suggesting it is a metastable phase. While materials like NiO are standard benchmarks for oxygen evolution, MnSi2O5 represents a more experimental candidate that requires careful synthesis control due to its complex structural landscape compared to the simpler perovskite architectures found in the rest of the class.
Related Compounds
Other Oxide Oxygen-Evolution Catalysts in the database.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- 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)
- 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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