MoSi2
Molybdenum disilicide · Molybdenum silicide
Molybdenum disilicide is a highly stable, semimetallic compound primarily used for its exceptional heat and oxidation resistance in industrial heating and coating applications.
About Molybdenum disilicide
Molybdenum disilicide is a robust, thermodynamically stable intermetallic compound that serves as a critical material in high-temperature engineering. Characterized by its near-zero-gap semimetallic electronic structure, it bridges the gap between metallic conductivity and ceramic-like durability.
This material is widely utilized in industrial applications where thermal stability and oxidation resistance are paramount. Its ability to maintain structural integrity under intense heat makes it a cornerstone for components operating in demanding atmospheric conditions.
Key Properties
Cross-validated computational properties for Molybdenum disilicide, 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 MoSi2. Tight agreement means computed properties can be trusted without re-running calculations.
Only 1 independent DFT source (materials_project) reports a hull energy for MoSi2, so cross-source agreement can't be assessed yet.
Reported Structures
Lowest-energy structures reported for MoSi2, 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. |
|---|---|---|---|---|---|
| I4/mmm (No. 139) | tetragonal | 0.00 | 0.0000 | -15.006 | 6.30 |
| P6222 (No. 180) | hexagonal | 0.09 | 0.0314 | -14.975 | 6.32 |
| I4/mmm (No. 139) | tetragonal | — | — | — | 6.28 |
| P6222 (No. 180) | hexagonal | — | — | — | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting MoSi2.
Applications
Where Molybdenum disilicide is used.
Patent Landscape
7 patents reference MoSi2 or close compositional variants.
| Patent | Title | Assignee | Granted |
|---|---|---|---|
| 7622152 | MoSi2-Si3N4 composite coating and manufacturing method thereof | — | — |
| 6288000 | Pest resistant MoSi2-based materials containing in-situ grown .beta.-Si3N4whiskers | — | — |
| 7179505 | Manufacturing method of MoSi2-SiC nanocomposite coating | — | — |
| 5429997 | Pest resistant MoSi.sub.2 materials and method of making | — | — |
| 6391811 | Pest resistant MoSi2-based materials containing in-situ grown &bgr;-Si3N4 whiskers | — | — |
| 5340531 | Refractory metal reinforced MoSi.sub.2 /SiC composite with matched thermal coefficients of expansion | — | — |
| 5887241 | Method of manufacture of low O.sub.2 content MoSi.sub.2 /SiC composite bodies | — | — |
Frequently Asked Questions
Common questions about Molybdenum disilicide, answered from cross-validated data.
What is MoSi2?
Molybdenum disilicide is a highly stable, semimetallic compound primarily used for its exceptional heat and oxidation resistance in industrial heating and coating applications.
What is MoSi2 used for?
What is the band gap of MoSi2?
Is MoSi2 a metal, semiconductor, or insulator?
Is MoSi2 thermodynamically stable?
What is the crystal structure of MoSi2?
What is the density of MoSi2?
How many polymorphs of MoSi2 are known?
How is MoSi2 synthesized?
What elements does MoSi2 contain?
Where does the data for MoSi2 come from?
How It Compares
Within the silicon anode materials class.
Unlike elemental silicon or more reactive silicides like Mg2Si and NaSi, MoSi2 is distinguished by its exceptional thermodynamic stability, placing it firmly on the convex hull. While FeSi and Fe2Si2 are common silicides in metallurgical contexts, MoSi2 is specifically engineered for high-temperature structural performance, offering superior oxidation resistance compared to many other members of the silicide class.
Related Compounds
Other Silicon Anode Materials 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)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- nomad — Data from NOMAD (nomad-lab.eu). Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019). (CC-BY-4.0)
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