HfZn
HfZn is a metallic binary intermetallic compound that is considered stable enough to be synthesized for research purposes.
About HfZn
HfZn is a metallic intermetallic compound composed of hafnium and zinc. Its electronic character is defined by its metallic nature, lacking a band gap, which influences its behavior in various solid-state environments.
Due to its near-hull thermodynamic stability, this compound is considered a viable candidate for synthesis and experimental characterization. With a significant number of reported structures across multiple databases, it remains a subject of interest for researchers exploring binary intermetallic systems.
Key Properties
Cross-validated computational properties for HfZn, 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 HfZn. 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 HfZn, 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 | -0.197 | — |
| Pm-3m (No. 221) | cubic | 0.00 | 0.0000 | -0.201 | — |
| — | — | 0.00 | 0.0042 | -0.193 | — |
| Pm-3m (No. 221) | cubic | 0.00 | 0.0082 | -27.263 | 11.53 |
| — | — | 0.00 | 0.0270 | -0.170 | — |
| — | — | 0.00 | 0.0282 | -0.169 | — |
| — | — | 0.00 | 0.0298 | -0.167 | — |
| — | — | 0.00 | 0.0612 | -0.136 | — |
| — | — | 0.00 | 0.0777 | -0.119 | — |
| — | — | 0.00 | 0.0895 | -0.107 | — |
| — | — | 0.00 | 0.0974 | -0.099 | — |
| — | — | 0.00 | 0.0990 | -0.098 | — |
Applications
Where HfZn is used.
Frequently Asked Questions
Common questions about HfZn, answered from cross-validated data.
What is HfZn?
HfZn is a metallic binary intermetallic compound that is considered stable enough to be synthesized for research purposes.
What is HfZn used for?
What is the band gap of HfZn?
Is HfZn a metal, semiconductor, or insulator?
Is HfZn thermodynamically stable?
What is the crystal structure of HfZn?
How many polymorphs of HfZn are known?
What elements does HfZn contain?
Where does the data for HfZn come from?
How It Compares
As a binary intermetallic, HfZn occupies a unique position in materials science, serving as a foundational example of how hafnium and zinc interact to form stable, metallic phases that are accessible for laboratory synthesis.
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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