MnSi
Manganese silicide · Manganese monosilicide
MnSi is a metallic manganese silicide compound that is structurally stable and widely documented in materials science research.
About Manganese silicide
MnSi is a metallic silicide compound that plays a role in the broader landscape of silicon-based material research. Its near-hull thermodynamic stability suggests it is a viable candidate for synthesis and experimental investigation in various solid-state applications.
As a metallic phase, it offers distinct electronic characteristics compared to traditional semiconducting silicon anodes. The extensive structural data available for this compound underscores its importance as a well-documented subject within materials science databases.
Key Properties
Cross-validated computational properties for Manganese silicide, 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 MnSi. 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 MnSi, 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. |
|---|---|---|---|---|---|
| P213 (No. 198) | cubic | 0.00 | 0.0000 | -0.332 | — |
| — | — | 0.00 | 0.0000 | -0.464 | — |
| P213 (No. 198) | cubic | 0.00 | 0.0000 | -0.332 | — |
| P213 (No. 198) | cubic | 0.00 | 0.0159 | -12.089 | 6.12 |
| — | — | 0.00 | 0.1279 | -0.336 | — |
| — | — | 0.00 | 0.1540 | -0.310 | — |
| — | — | 0.00 | 0.1559 | -0.308 | — |
| — | — | 0.00 | 0.1561 | -0.308 | — |
| — | — | 0.00 | 0.1653 | -0.299 | — |
| — | — | 0.00 | 0.2359 | -0.228 | — |
| — | — | 0.00 | 0.2711 | -0.193 | — |
| — | — | 0.00 | 0.3459 | -0.118 | — |
Applications
Where Manganese silicide is used.
Frequently Asked Questions
Common questions about Manganese silicide, answered from cross-validated data.
What is MnSi?
MnSi is a metallic manganese silicide compound that is structurally stable and widely documented in materials science research.
What is MnSi used for?
What is the band gap of MnSi?
Is MnSi a metal, semiconductor, or insulator?
Is MnSi thermodynamically stable?
What is the crystal structure of MnSi?
How many polymorphs of MnSi are known?
What elements does MnSi contain?
Where does the data for MnSi come from?
How It Compares
Within the silicon anode materials class.
Within the diverse class of silicon-based materials, MnSi functions as a metallic counterpart to more common semiconducting or insulating silicides like Si or BaSi2. While materials like Mg2Si are frequently studied for their specific electrochemical behaviors in battery systems, MnSi provides a unique structural framework that contrasts with the varied stoichiometry found in compounds such as MoSi2 or FeSi.
Related Compounds
Other Silicon Anode Materials 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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