CdSiN2
CdSiN2 is a metastable semiconducting nitride material used in advanced materials science research.
About CdSiN2
CdSiN2 is a complex nitride semiconductor that occupies a unique position within the broader family of nitride-based materials. Its electronic character suggests potential for specialized optoelectronic applications, though its metastable nature requires careful synthesis and processing control to maintain structural integrity.
As a material characterized by its distinct structural arrangement, it serves as a subject of interest for researchers investigating non-traditional semiconducting phases. Its presence in multiple structural databases highlights its significance as a candidate for exploring the limits of nitride stability and electronic performance.
Key Properties
Cross-validated computational properties for CdSiN2, 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 CdSiN2. 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 CdSiN2, 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. |
|---|---|---|---|---|---|
| Pna21 (No. 33) | orthorhombic | 0.00 | 0.0329 | -12.522 | 5.74 |
| I-42d (No. 122) | tetragonal | 0.00 | 0.0385 | -12.516 | 5.78 |
| I-42d (No. 122) | tetragonal | 1.80 | 0.0491 | -0.652 | — |
| Pna21 (No. 33) | orthorhombic | 1.74 | 0.0521 | -0.649 | — |
| — | — | 1.89 | 0.0578 | -0.651 | — |
| Pbca (No. 61) | orthorhombic | 1.55 | 0.0877 | -12.467 | 5.71 |
| Cm (No. 8) | monoclinic | — | — | — | 4.60 |
| P21212 (No. 18) | orthorhombic | — | — | — | 7.28 |
| P-421m (No. 113) | tetragonal | — | — | — | 5.72 |
Applications
Where CdSiN2 is used.
Frequently Asked Questions
Common questions about CdSiN2, answered from cross-validated data.
What is CdSiN2?
CdSiN2 is a metastable semiconducting nitride material used in advanced materials science research.
What is CdSiN2 used for?
What is the band gap of CdSiN2?
Is CdSiN2 a metal, semiconductor, or insulator?
Is CdSiN2 thermodynamically stable?
What is the crystal structure of CdSiN2?
What is the density of CdSiN2?
How many polymorphs of CdSiN2 are known?
What elements does CdSiN2 contain?
Where does the data for CdSiN2 come from?
How It Compares
Within the nitride semiconductors class.
Unlike the highly stable and widely utilized group-III nitrides such as GaN and AlN, CdSiN2 is a metastable phase that offers a different structural complexity. While GaN is a cornerstone of modern blue light-emitting technology, CdSiN2 represents a more niche area of the nitride semiconductor class, providing a platform for studying how ternary compositions influence electronic behavior compared to simpler binary nitrides.
Related Compounds
Other Nitride Semiconductors 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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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