CN2Si
Silicon carbodiimide is a metastable, wide-band-gap semiconductor material composed of silicon, carbon, and nitrogen.
About CN2Si
Silicon carbodiimide is a unique member of the nitride semiconductor family, characterized by its wide-band-gap electronic structure. As a metastable compound, it represents an intriguing target for materials synthesis and structural investigation within the broader landscape of carbon-nitrogen-silicon systems.
Its insulating nature and specific bonding arrangement make it a subject of interest for researchers exploring next-generation semiconductor materials. While it remains less common than established nitrides, its structural properties offer a distinct pathway for developing specialized electronic components.
Key Properties
Cross-validated computational properties for CN2Si, 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 CN2Si. 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 CN2Si, 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. |
|---|---|---|---|---|---|
| Pn-3m (No. 224) | cubic | 4.24 | 0.0354 | -9.717 | 1.33 |
| — | — | — | — | — | 2.86 |
| No. 0 | unknown | — | — | — | 0.32 |
Applications
Where CN2Si is used.
Frequently Asked Questions
Common questions about CN2Si, answered from cross-validated data.
What is CN2Si?
Silicon carbodiimide is a metastable, wide-band-gap semiconductor material composed of silicon, carbon, and nitrogen.
What is CN2Si used for?
What is the band gap of CN2Si?
Is CN2Si a metal, semiconductor, or insulator?
Is CN2Si thermodynamically stable?
What is the crystal structure of CN2Si?
What is the density of CN2Si?
How many polymorphs of CN2Si are known?
What elements does CN2Si contain?
Where does the data for CN2Si come from?
How It Compares
Within the nitride semiconductors class.
Unlike the highly stable and widely utilized GaN or AlN, silicon carbodiimide exists in a metastable state, positioning it as a more exotic and challenging material to process than the robust binary nitrides like BN or InN.
Related Compounds
Other Nitride Semiconductors in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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