TiV
TiV is a metallic intermetallic compound formed from titanium and vanadium that typically exists as a metastable phase.
About TiV
TiV is a metallic binary compound composed of titanium and vanadium. As a metallic phase, it exhibits characteristic electron delocalization, reflecting the typical behavior of transition metal alloys within this system.
Because it exists above the thermodynamic hull, TiV is considered a metastable phase. Its presence in numerous reported structures across databases highlights its significance in the study of complex phase diagrams and the kinetic pathways of titanium-vanadium metallurgy.
Key Properties
Cross-validated computational properties for TiV, aggregated across 5 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 TiV. 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 TiV, 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 | 0.0301 | 0.030 | — |
| — | — | 0.00 | 0.0361 | 0.036 | — |
| — | — | 0.00 | 0.0388 | 0.039 | — |
| — | — | 0.00 | 0.0458 | 0.046 | — |
| — | — | 0.00 | 0.0471 | 0.047 | — |
| — | — | 0.00 | 0.0486 | 0.049 | — |
| — | — | 0.00 | 0.0569 | 0.057 | — |
| — | — | 0.00 | 0.0623 | 0.062 | — |
| — | — | 0.00 | 0.0649 | 0.065 | — |
| — | — | 0.00 | 0.0664 | 0.066 | — |
| — | — | 0.00 | 0.0756 | 0.076 | — |
| — | — | 0.00 | 0.0895 | 0.090 | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting TiV.
Applications
Where TiV is used.
Frequently Asked Questions
Common questions about TiV, answered from cross-validated data.
What is TiV?
TiV is a metallic intermetallic compound formed from titanium and vanadium that typically exists as a metastable phase.
What is TiV used for?
What is the band gap of TiV?
Is TiV a metal, semiconductor, or insulator?
Is TiV thermodynamically stable?
How many polymorphs of TiV are known?
How is TiV synthesized?
What elements does TiV contain?
Where does the data for TiV come from?
How It Compares
As a binary intermetallic, TiV serves as a representative example of the complex structural landscape found in transition metal systems where multiple metastable phases can be accessed through varying synthesis conditions.
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)
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