CaN2Ti
CaN2Ti is a thermodynamically stable semiconducting ternary nitride compound composed of calcium, nitrogen, and titanium.
About CaN2Ti
CaN2Ti is a ternary nitride compound that exhibits semiconducting electronic behavior. As a thermodynamically stable phase located on the convex hull, it represents a robust material candidate for fundamental research into nitride-based semiconductors. Its unique arrangement of calcium, nitrogen, and titanium atoms provides a distinct structural framework that is of interest for materials scientists studying complex inorganic lattices. The compound is currently documented across multiple structural configurations, highlighting its versatility in solid-state chemistry.
Key Properties
Cross-validated computational properties for CaN2Ti, 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 CaN2Ti. 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.
Applications
Where CaN2Ti is used.
Frequently Asked Questions
Common questions about CaN2Ti, answered from cross-validated data.
What is CaN2Ti?
CaN2Ti is a thermodynamically stable semiconducting ternary nitride compound composed of calcium, nitrogen, and titanium.
What is CaN2Ti used for?
What is the band gap of CaN2Ti?
Is CaN2Ti a metal, semiconductor, or insulator?
Is CaN2Ti thermodynamically stable?
How many polymorphs of CaN2Ti are known?
What elements does CaN2Ti contain?
Where does the data for CaN2Ti come from?
How It Compares
As a unique ternary nitride, CaN2Ti occupies a specialized niche in materials science. Unlike more common binary nitrides, this compound integrates calcium and titanium into a stable lattice, offering a distinct electronic profile that differentiates it from simpler nitride systems.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
Analyze CaN2Ti in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →