Hf1Pd2Sn1
Hf1Pd2Sn1 is a semiconducting ternary intermetallic compound categorized within the platinum-group alloy catalyst family.
About Hf1Pd2Sn1
Hf1Pd2Sn1 is a specialized semiconducting intermetallic compound belonging to the class of platinum-group alloy catalysts. Its unique electronic configuration positions it as a subject of interest for researchers investigating the interplay between transition metals and main-group elements in catalytic processes.
While the compound is currently classified as thermodynamically unstable, it remains a significant data point in structural chemistry. The existence of numerous reported structures underscores its importance in understanding phase stability and synthesis pathways within complex alloy systems.
Key Properties
Cross-validated computational properties for Hf1Pd2Sn1, aggregated across 2 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 Hf1Pd2Sn1, 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. |
|---|---|---|---|---|---|
| Immm (No. 71) | orthorhombic | 0.15 | 2.6129 | -27.115 | 0.92 |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| R3m (No. 160) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| Pmm2 (No. 25) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
Applications
Where Hf1Pd2Sn1 is used.
Frequently Asked Questions
Common questions about Hf1Pd2Sn1, answered from cross-validated data.
What is Hf1Pd2Sn1?
Hf1Pd2Sn1 is a semiconducting ternary intermetallic compound categorized within the platinum-group alloy catalyst family.
What is Hf1Pd2Sn1 used for?
What is the band gap of Hf1Pd2Sn1?
Is Hf1Pd2Sn1 a metal, semiconductor, or insulator?
Is Hf1Pd2Sn1 thermodynamically stable?
What is the crystal structure of Hf1Pd2Sn1?
What is the density of Hf1Pd2Sn1?
How many polymorphs of Hf1Pd2Sn1 are known?
What elements does Hf1Pd2Sn1 contain?
Where does the data for Hf1Pd2Sn1 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Compared to more stable members of the platinum-group alloy class like BaPd or GeRu, Hf1Pd2Sn1 occupies a more precarious position on the thermodynamic landscape. While many sibling compounds in this group are characterized by high stability, this material serves as a critical example of the structural diversity found in ternary systems containing hafnium, palladium, and tin.
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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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