HfTi
HfTi is a metastable metallic compound formed from the transition metals hafnium and titanium.
About HfTi
HfTi is a binary metallic compound consisting of hafnium and titanium. As a metallic system, it exhibits characteristic electrical conductivity and is of significant interest for its complex structural behavior across various experimental and computational databases.
This material exists in a metastable state, making it a subject of intense study for understanding phase stability and structural transformations. Its diverse structural landscape highlights the intricate interplay between its constituent transition metals.
Key Properties
Cross-validated computational properties for HfTi, 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 HfTi. 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 HfTi, 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 | 0.0413 | -0.005 | — |
| — | — | 0.00 | 0.0431 | -0.003 | — |
| — | — | 0.00 | 0.0442 | -0.002 | — |
| — | — | 0.00 | 0.0445 | -0.002 | — |
| — | — | 0.00 | 0.0445 | -0.002 | — |
| — | — | 0.00 | 0.0483 | 0.002 | — |
| — | — | 0.00 | 0.0491 | 0.003 | — |
| — | — | 0.00 | 0.0496 | 0.003 | — |
| — | — | 0.00 | 0.0506 | 0.004 | — |
| — | — | 0.00 | 0.0508 | 0.004 | — |
| — | — | 0.00 | 0.0522 | 0.006 | — |
| — | — | 0.00 | 0.0587 | 0.012 | — |
Applications
Where HfTi is used.
Frequently Asked Questions
Common questions about HfTi, answered from cross-validated data.
What is HfTi?
HfTi is a metastable metallic compound formed from the transition metals hafnium and titanium.
What is HfTi used for?
What is the band gap of HfTi?
Is HfTi a metal, semiconductor, or insulator?
Is HfTi thermodynamically stable?
How many polymorphs of HfTi are known?
What elements does HfTi contain?
Where does the data for HfTi come from?
How It Compares
As a unique binary system, HfTi serves as a fundamental model for studying the alloying behavior of group four transition metals. It occupies a distinct space in materials research where the competition between different crystalline arrangements defines its metastable nature.
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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