CrSi2
chromium disilicide · chromium silicide
Chromium disilicide is a stable, semiconducting intermetallic compound widely researched for its potential in high-temperature electronics and thermoelectric energy conversion.
About chromium disilicide
Chromium disilicide is a thermodynamically stable intermetallic compound that occupies a prominent position on the convex hull of the chromium-silicon system. As a semiconducting silicide, it exhibits unique electronic properties that make it a subject of extensive structural research, with numerous reported configurations across major materials databases.
This material is primarily valued for its robust thermal stability and favorable electrical characteristics, which are critical for demanding industrial environments. It serves as a foundational component in the development of advanced thin-film devices and specialized sensor technologies where reliable performance at elevated temperatures is required.
Key Properties
Cross-validated computational properties for chromium 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.
Reported Structures
Lowest-energy structures reported for CrSi2, 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 | -11.131 | 5.15 |
| P6222 (No. 180) | hexagonal | 0.36 | 0.0130 | -11.118 | 5.02 |
| P6422 (No. 181) | hexagonal | 0.36 | 0.0214 | -11.109 | 5.17 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.05 |
| P6422 (No. 181) | — | — | — | — | — |
| P1 (No. 1) | Triclinic | — | — | — | 3.50 |
| Cm (No. 8) | Monoclinic | — | — | — | 2.97 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.51 |
| Cm (No. 8) | Monoclinic | — | — | — | 3.46 |
| P1 (No. 1) | Triclinic | — | — | — | 4.34 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 4.85 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.34 |
Synthesis Routes
Literature-extracted synthesis procedures targeting CrSi2.
Applications
Where chromium disilicide is used.
Frequently Asked Questions
Common questions about chromium disilicide, answered from cross-validated data.
What is CrSi2?
Chromium disilicide is a stable, semiconducting intermetallic compound widely researched for its potential in high-temperature electronics and thermoelectric energy conversion.
What is CrSi2 used for?
What is the band gap of CrSi2?
Is CrSi2 a metal, semiconductor, or insulator?
Is CrSi2 thermodynamically stable?
What is the crystal structure of CrSi2?
What is the density of CrSi2?
How many polymorphs of CrSi2 are known?
How is CrSi2 synthesized?
What elements does CrSi2 contain?
Where does the data for CrSi2 come from?
How It Compares
Within the silicon anode materials class.
Within the class of silicon-based anode materials and silicides, CrSi2 distinguishes itself through its exceptional thermodynamic stability compared to more reactive silicides like NaSi or Mg2Si. While it shares the semiconducting nature found in compounds such as BaSi2 and MoSi2, CrSi2 is often favored in high-temperature applications for its specific structural integrity and resistance to degradation compared to the elemental silicon or more complex carbon-silicon architectures.
Related Compounds
Other Silicon Anode Materials in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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