C2Si2
C2Si2 is a thermodynamically stable semiconducting compound composed of carbon and silicon, investigated primarily for its potential in advanced battery anode applications.
About C2Si2
C2Si2 is a semiconducting compound belonging to the silicon anode material class. Its position on the convex hull indicates that it is a thermodynamically stable phase, making it a subject of significant interest for researchers investigating robust electrode architectures. The material is characterized by a high degree of structural diversity, supported by extensive data across multiple databases.
This compound represents a unique intersection of carbon and silicon chemistry, offering potential advantages in energy density and structural integrity. Its stability profile suggests it could serve as a reliable building block for next-generation battery components where long-term cycling performance is critical.
Key Properties
Cross-validated computational properties for C2Si2, aggregated across 5 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 C2Si2, 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. |
|---|---|---|---|---|---|
| R3m (No. 160) | trigonal | 1.84 | 0.0000 | -9.666 | 3.23 |
| P63mc (No. 186) | hexagonal | 2.02 | 0.0000 | -9.666 | 3.23 |
| R3m (No. 160) | trigonal | 1.85 | 0.0000 | -9.666 | 3.23 |
| P3m1 (No. 156) | trigonal | 1.81 | 0.0000 | -9.666 | 3.23 |
| R3m (No. 160) | trigonal | 1.97 | 0.0000 | -9.666 | 3.23 |
| P3m1 (No. 156) | trigonal | 1.69 | 0.0000 | -9.666 | 3.23 |
| P3m1 (No. 156) | trigonal | 1.94 | 0.0001 | -9.666 | 3.23 |
| P63mc (No. 186) | hexagonal | 1.97 | 0.0001 | -9.666 | 3.23 |
| P63mc (No. 186) | hexagonal | 1.78 | 0.0001 | -9.666 | 3.23 |
| R3m (No. 160) | trigonal | 1.95 | 0.0001 | -9.666 | 3.23 |
| P3m1 (No. 156) | trigonal | 2.01 | 0.0001 | -9.666 | 3.23 |
| P3m1 (No. 156) | trigonal | 1.97 | 0.0001 | -9.666 | 3.23 |
Applications
Where C2Si2 is used.
Frequently Asked Questions
Common questions about C2Si2, answered from cross-validated data.
What is C2Si2?
C2Si2 is a thermodynamically stable semiconducting compound composed of carbon and silicon, investigated primarily for its potential in advanced battery anode applications.
What is C2Si2 used for?
What is the band gap of C2Si2?
Is C2Si2 a metal, semiconductor, or insulator?
Is C2Si2 thermodynamically stable?
What is the crystal structure of C2Si2?
What is the density of C2Si2?
How many polymorphs of C2Si2 are known?
What elements does C2Si2 contain?
Where does the data for C2Si2 come from?
How It Compares
Within the silicon anode materials class.
Within the diverse family of silicon-based materials, C2Si2 occupies a distinct niche compared to metallic systems like FeSi or MoSi2. While standard elemental silicon is the industry benchmark for anodes, C2Si2 offers a different structural framework that contrasts with the simple lattice of Si or the complex intermetallic bonding found in Mg2Si, positioning it as a specialized candidate for tailored electrochemical applications.
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).
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