Hf1Pd1Sn1
Hf1Pd1Sn1 is a stable, semimetallic ternary alloy composed of hafnium, palladium, and tin that is primarily explored for its catalytic properties.
About Hf1Pd1Sn1
Hf1Pd1Sn1 is a thermodynamically stable intermetallic compound belonging to the platinum-group alloy class. Its electronic character is defined as a near-zero-gap semimetal, which influences its interaction with chemical species in catalytic environments. Being situated on the convex hull, it demonstrates robust structural integrity under standard conditions.
This material is of interest to researchers investigating the electronic tuning of catalysts. By incorporating hafnium and tin with palladium, the compound provides a distinct structural framework that differentiates it from simpler binary palladium alloys, making it a subject of interest for specialized catalytic research.
Key Properties
Cross-validated computational properties for Hf1Pd1Sn1, aggregated across 3 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.
Reported Structures
Lowest-energy structures reported for Hf1Pd1Sn1, 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. |
|---|---|---|---|---|---|
| F-43m (No. 216) | cubic | 0.03 | 0.0000 | -31.735 | 10.63 |
| No. 0 | unknown | — | — | — | 2.68 |
| F-43m (No. 216) | — | — | — | — | — |
| I4mm (No. 107) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| P3m1 (No. 156) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| I4mm (No. 107) | — | — | — | — | — |
| P3m1 (No. 156) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
Applications
Where Hf1Pd1Sn1 is used.
Frequently Asked Questions
Common questions about Hf1Pd1Sn1, answered from cross-validated data.
What is Hf1Pd1Sn1?
Hf1Pd1Sn1 is a stable, semimetallic ternary alloy composed of hafnium, palladium, and tin that is primarily explored for its catalytic properties.
What is Hf1Pd1Sn1 used for?
What is the band gap of Hf1Pd1Sn1?
Is Hf1Pd1Sn1 a metal, semiconductor, or insulator?
Is Hf1Pd1Sn1 thermodynamically stable?
What is the crystal structure of Hf1Pd1Sn1?
What is the density of Hf1Pd1Sn1?
How many polymorphs of Hf1Pd1Sn1 are known?
What elements does Hf1Pd1Sn1 contain?
Where does the data for Hf1Pd1Sn1 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Unlike binary systems such as BaPd or GeRu, Hf1Pd1Sn1 represents a more complex ternary arrangement that benefits from the unique electronic contributions of its constituent elements. While many members of this class, such as P3Ru or As2Ir, are studied for their specific surface reactivity, Hf1Pd1Sn1 stands out due to its stable, semimetallic nature, which offers a different electronic environment for potential catalytic surface interactions compared to the more common binary platinum-group compounds.
Related Compounds
Other Platinum-Group Alloy Catalysts in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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