Hf
hafnium · metallic hafnium
Hafnium is a stable, corrosion-resistant transition metal widely used in nuclear control rods and high-temperature aerospace alloys.
About hafnium
Hafnium is a robust metallic element known for its exceptional chemical stability and resistance to corrosion. As a thermodynamically stable material, it maintains structural integrity under demanding conditions, making it a critical component in high-performance engineering sectors.
Its unique electronic properties and ability to withstand extreme environments have cemented its role in advanced technology. The material is widely utilized in sectors requiring high neutron absorption cross-sections and structural reliability in harsh thermal settings.
Key Properties
Cross-validated computational properties for hafnium, aggregated across 6 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 Hf. 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 Hf, 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. |
|---|---|---|---|---|---|
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0000 | -45.151 | 13.31 |
| Im-3m (No. 229) | cubic | 0.00 | 0.0000 | 0.174 | — |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0000 | 0.000 | — |
| P6/mmm (No. 191) | hexagonal | 0.00 | 0.0000 | 0.041 | — |
| Fm-3m (No. 225) | cubic | 0.00 | 0.0000 | 0.071 | — |
| Fm-3m (No. 225) | cubic | 0.00 | 0.0000 | 0.071 | — |
| Im-3m (No. 229) | cubic | 0.00 | 0.0000 | 0.174 | — |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0000 | 0.000 | — |
| — | — | 0.00 | 0.0002 | 0.000 | — |
| — | — | 0.00 | 0.0024 | 0.002 | — |
| — | — | 0.00 | 0.0322 | 0.032 | — |
| P6/mmm (No. 191) | hexagonal | 0.00 | 0.0322 | -45.119 | 13.51 |
Applications
Where hafnium is used.
Frequently Asked Questions
Common questions about hafnium, answered from cross-validated data.
What is Hf?
Hafnium is a stable, corrosion-resistant transition metal widely used in nuclear control rods and high-temperature aerospace alloys.
What is Hf used for?
What is the band gap of Hf?
Is Hf a metal, semiconductor, or insulator?
Is Hf thermodynamically stable?
What is the crystal structure of Hf?
What is the density of Hf?
How many polymorphs of Hf are known?
What elements does Hf contain?
Where does the data for Hf come from?
How It Compares
As a pure transition metal, hafnium stands as a foundational element within its category, serving as a primary material for specialized industrial use rather than as a derivative compound. Its inherent stability and metallic character distinguish it as a high-purity building block for advanced metallurgical applications.
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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