SiC
SiC has a DFT band gap of 1.37–2.30 eV across 442 reported structures in 42 space groups; its lowest-energy polymorph is trigonal (R3m (No. 160)). Cross-validated across 4 computational databases.
At a glance
Key Properties
Cross-validated computational properties for SiC, aggregated across 4 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.
1.37–2.30 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
442
4 databases, 42 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for SiC, 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 |
Synthesis
Synthesis Routes
Literature-extracted synthesis procedures targeting SiC.
Sol-Gel
Procedure available · ceder_solid_state
Reference
Frequently Asked Questions
Common questions about SiC, answered from cross-validated data.
What is the band gap of SiC?
SiC has a DFT-computed band gap of 1.37–2.30 eV across 442 reported structures.
More questions
Is SiC a metal, semiconductor, or insulator?
With a band gap up to 2.30 eV it is a semiconductor.
Is SiC thermodynamically stable?
Yes — SiC sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of SiC?
The lowest-energy reported polymorph of SiC is trigonal symmetry, space group R3m (No. 160).
What is the density of SiC?
The computed density of the ground-state structure of SiC is 3.23 g/cm³.
How many polymorphs of SiC are known?
442 structures of SiC are reported across 4 databases, spanning 42 distinct space groups.
How is SiC synthesized?
Literature-reported routes for SiC include sol-gel.
What elements does SiC contain?
SiC contains C and Si (2 elements).
Where does the data for SiC come from?
SiC data is cross-referenced from materials_project.
Explore
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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