Cu1Pd2Sb1
Cu1Pd2Sb1 is a semiconducting ternary alloy containing copper, palladium, and antimony that is primarily studied for its structural diversity in catalytic research.
About Cu1Pd2Sb1
Cu1Pd2Sb1 is a semiconducting intermetallic compound belonging to the class of platinum-group alloy catalysts. Its composition, involving copper, palladium, and antimony, positions it as a complex material of interest for fundamental studies in catalysis and solid-state chemistry.
While this material has been identified across multiple structural configurations, it is characterized by thermodynamic instability relative to the ground state. This meta-stable nature makes it a compelling subject for researchers investigating phase formation and the potential for catalytic activity in non-equilibrium states.
Key Properties
Cross-validated computational properties for Cu1Pd2Sb1, 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 Cu1Pd2Sb1, 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 | 0.30 | 2.0600 | -18.892 | 0.90 |
| Cmmm (No. 65) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
Applications
Where Cu1Pd2Sb1 is used.
Frequently Asked Questions
Common questions about Cu1Pd2Sb1, answered from cross-validated data.
What is Cu1Pd2Sb1?
Cu1Pd2Sb1 is a semiconducting ternary alloy containing copper, palladium, and antimony that is primarily studied for its structural diversity in catalytic research.
What is Cu1Pd2Sb1 used for?
What is the band gap of Cu1Pd2Sb1?
Is Cu1Pd2Sb1 a metal, semiconductor, or insulator?
Is Cu1Pd2Sb1 thermodynamically stable?
What is the crystal structure of Cu1Pd2Sb1?
What is the density of Cu1Pd2Sb1?
How many polymorphs of Cu1Pd2Sb1 are known?
What elements does Cu1Pd2Sb1 contain?
Where does the data for Cu1Pd2Sb1 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse group of platinum-group alloy catalysts, Cu1Pd2Sb1 stands out for its semiconducting electronic character, which contrasts with the typically metallic behavior found in siblings like P3Ru or BaPd. While many of its peers are valued for their robust stability, this compound is notable for existing above the hull, suggesting unique structural pathways compared to more stable intermetallics like As2Pt.
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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