HfSn
HfSn is a metallic, metastable intermetallic compound formed from hafnium and tin that is frequently studied for its diverse structural configurations.
About HfSn
HfSn is a metallic intermetallic compound composed of hafnium and tin. As a metastable phase, it represents a complex structural system that has been extensively documented across multiple materials databases, reflecting significant scientific interest in its atomic arrangement and potential for phase transformation.
Its metallic character suggests high electrical conductivity, making it a subject of study for specialized electronic or structural applications. The wide variety of reported structures highlights the intricate bonding behavior between these two elements, positioning it as a notable example of metastable binary systems.
Key Properties
Cross-validated computational properties for HfSn, 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 HfSn. 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 HfSn, 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 | 0.0875 | -0.322 | — |
| — | — | 0.00 | 0.0888 | -0.321 | — |
| P213 (No. 198) | cubic | 0.00 | 0.0890 | -0.254 | — |
| P213 (No. 198) | cubic | 0.00 | 0.0935 | -35.249 | 10.84 |
| — | — | 0.00 | 0.1385 | -0.271 | — |
| — | — | 0.00 | 0.1500 | -0.260 | — |
| — | — | 0.00 | 0.1663 | -0.243 | — |
| — | — | 0.00 | 0.2063 | -0.203 | — |
| — | — | 0.00 | 0.2297 | -0.180 | — |
| — | — | 0.00 | 0.2468 | -0.163 | — |
| — | — | 0.00 | 0.2926 | -0.117 | — |
| — | — | 0.44 | 1.1271 | 0.717 | — |
Applications
Where HfSn is used.
Frequently Asked Questions
Common questions about HfSn, answered from cross-validated data.
What is HfSn?
HfSn is a metallic, metastable intermetallic compound formed from hafnium and tin that is frequently studied for its diverse structural configurations.
What is HfSn used for?
What is the band gap of HfSn?
Is HfSn a metal, semiconductor, or insulator?
Is HfSn thermodynamically stable?
What is the crystal structure of HfSn?
How many polymorphs of HfSn are known?
What elements does HfSn contain?
Where does the data for HfSn come from?
How It Compares
As a unique binary intermetallic, HfSn occupies a distinct niche in materials research where its metastable nature allows for the investigation of phase stability and structural polymorphism that is less common in highly stable, ground-state compounds.
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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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