Ti
Titanium · Ti-metal
Titanium is a stable, metallic element widely utilized for its superior strength and resistance to environmental degradation.
About Titanium
Titanium is a robust, metallic element that sits at the center of modern materials science due to its inherent thermodynamic stability. As a pure elemental solid, it exhibits classic metallic electronic characteristics, providing the foundational structural integrity required for high-performance applications. Its ability to maintain structural form under diverse conditions makes it a cornerstone of contemporary metallurgy. The material is extensively documented across numerous structural databases, reflecting its status as a widely characterized and reliable industrial resource. Its unique combination of physical properties ensures it remains a primary choice for engineers seeking durability and resilience in harsh environments.
Key Properties
Cross-validated computational properties for Titanium, aggregated across 7 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 Ti. 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 Ti, 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. |
|---|---|---|---|---|---|
| P6/mmm (No. 191) | hexagonal | 0.00 | 0.0000 | -12.938 | 4.67 |
| Im-3m (No. 229) | cubic | 0.00 | 0.0000 | 0.113 | — |
| P6/mmm (No. 191) | hexagonal | 0.00 | 0.0000 | 0.000 | — |
| — | — | 0.00 | 0.0000 | 0.000 | — |
| Fm-3m (No. 225) | cubic | 0.00 | 0.0000 | 0.065 | — |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0000 | 0.009 | — |
| P6/mmm (No. 191) | hexagonal | 0.00 | 0.0000 | 0.000 | — |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0000 | 0.009 | — |
| Fm-3m (No. 225) | cubic | 0.00 | 0.0000 | 0.065 | — |
| Im-3m (No. 229) | cubic | 0.00 | 0.0000 | 0.113 | — |
| — | — | 0.00 | 0.0135 | 0.014 | — |
| — | — | 0.00 | 0.0136 | 0.014 | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting Ti.
Applications
Where Titanium is used.
Frequently Asked Questions
Common questions about Titanium, answered from cross-validated data.
What is Ti?
Titanium is a stable, metallic element widely utilized for its superior strength and resistance to environmental degradation.
What is Ti used for?
What is the band gap of Ti?
Is Ti a metal, semiconductor, or insulator?
Is Ti thermodynamically stable?
What is the crystal structure of Ti?
How many polymorphs of Ti are known?
How is Ti synthesized?
What elements does Ti contain?
Where does the data for Ti come from?
How It Compares
As a pure elemental metal, titanium serves as the definitive benchmark for the titanium-based alloy class, providing the essential structural framework upon which more complex, multi-element systems are built.
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)
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