TiZn
TiZn is a stable metallic intermetallic compound composed of titanium and zinc.
About TiZn
TiZn is a metallic intermetallic compound formed from titanium and zinc. As a thermodynamically stable phase located on the convex hull, it represents a robust structural configuration within its chemical system.
Its metallic nature and structural reliability make it a subject of interest in materials science. With a significant number of reported structures across multiple databases, it serves as a foundational reference point for understanding titanium-zinc alloy behavior.
Key Properties
Cross-validated computational properties for TiZn, 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 TiZn. 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 TiZn, 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. |
|---|---|---|---|---|---|
| — | — | 0.00 | 0.0000 | -0.222 | — |
| Pm-3m (No. 221) | cubic | 0.00 | 0.0000 | -0.195 | — |
| Pm-3m (No. 221) | cubic | 0.00 | 0.0000 | -4.771 | 6.17 |
| — | — | 0.00 | 0.0067 | -0.216 | — |
| — | — | 0.00 | 0.0163 | -0.206 | — |
| — | — | 0.00 | 0.0387 | -0.184 | — |
| — | — | 0.00 | 0.0432 | -0.179 | — |
| — | — | 0.00 | 0.0481 | -0.174 | — |
| — | — | 0.00 | 0.0523 | -0.170 | — |
| — | — | 0.00 | 0.0538 | -0.169 | — |
| — | — | 0.00 | 0.0665 | -0.156 | — |
| — | — | 0.00 | 0.0686 | -0.154 | — |
Applications
Where TiZn is used.
Frequently Asked Questions
Common questions about TiZn, answered from cross-validated data.
What is TiZn?
TiZn is a stable metallic intermetallic compound composed of titanium and zinc.
What is TiZn used for?
What is the band gap of TiZn?
Is TiZn a metal, semiconductor, or insulator?
Is TiZn thermodynamically stable?
What is the crystal structure of TiZn?
How many polymorphs of TiZn are known?
What elements does TiZn contain?
Where does the data for TiZn come from?
How It Compares
As a stable intermetallic phase, TiZn occupies a distinct position in the landscape of binary titanium-zinc compounds, serving as a primary reference for structural studies within this specific chemical system.
Data sources & attribution
- 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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
Analyze TiZn in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →