TiZn2
TiZn2 is a metallic titanium-zinc intermetallic compound that is considered likely to be synthesizable due to its favorable thermodynamic stability.
About TiZn2
TiZn2 is a metallic intermetallic compound composed of titanium and zinc. As a metallic system, it exhibits characteristic electronic behavior associated with its transition metal and post-transition metal constituents, making it an interesting subject for structural and electronic property research.
Because it sits near the thermodynamic hull, TiZn2 is considered a likely candidate for successful laboratory synthesis. The existence of numerous reported structures across multiple databases highlights its importance as a significant material for further investigation in the field of binary alloys.
Key Properties
Cross-validated computational properties for TiZn2, 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.
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 TiZn2. 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.
Synthesis Routes
Literature-extracted synthesis procedures targeting TiZn2.
Applications
Where TiZn2 is used.
Frequently Asked Questions
Common questions about TiZn2, answered from cross-validated data.
What is TiZn2?
TiZn2 is a metallic titanium-zinc intermetallic compound that is considered likely to be synthesizable due to its favorable thermodynamic stability.
What is TiZn2 used for?
What is the band gap of TiZn2?
Is TiZn2 a metal, semiconductor, or insulator?
Is TiZn2 thermodynamically stable?
How many polymorphs of TiZn2 are known?
How is TiZn2 synthesized?
What elements does TiZn2 contain?
Where does the data for TiZn2 come from?
How It Compares
As a unique binary intermetallic, TiZn2 serves as a foundational example of titanium-zinc phase behavior. Without direct siblings in this specific class, it stands as a primary reference point for understanding the structural diversity and stability trends within the titanium-zinc binary system.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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