K4P4Pd2
K4P4Pd2 is a thermodynamically stable, semiconducting alloy containing potassium, phosphorus, and palladium that is utilized in materials science research.
About K4P4Pd2
K4P4Pd2 is a distinct member of the platinum-group alloy catalyst family, characterized by its semiconducting electronic nature. As a thermodynamically stable compound residing on the convex hull, it represents a robust phase within its compositional space, supported by multiple documented structural configurations across research databases. Its specific arrangement of potassium, phosphorus, and palladium atoms facilitates unique electronic interactions that distinguish it from metallic alloys in this class. This compound is primarily of interest in fundamental materials science, where its stability and semiconducting behavior are investigated for potential catalytic and electronic applications. By leveraging the specific properties of palladium within a phosphide-rich framework, researchers utilize this material to explore the boundaries of transition metal-main group element interactions.
Key Properties
Cross-validated computational properties for K4P4Pd2, 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 K4P4Pd2, 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. |
|---|---|---|---|---|---|
| Cmcm (No. 63) | orthorhombic | 1.08 | 0.0000 | -4.171 | 3.10 |
| Cmcm (No. 63) | — | — | — | — | — |
| Cmcm (No. 63) | — | — | — | — | — |
| Cmcm (No. 63) | — | — | — | — | — |
| Cmcm (No. 63) | — | — | — | — | — |
Applications
Where K4P4Pd2 is used.
Frequently Asked Questions
Common questions about K4P4Pd2, answered from cross-validated data.
What is K4P4Pd2?
K4P4Pd2 is a thermodynamically stable, semiconducting alloy containing potassium, phosphorus, and palladium that is utilized in materials science research.
What is K4P4Pd2 used for?
What is the band gap of K4P4Pd2?
Is K4P4Pd2 a metal, semiconductor, or insulator?
Is K4P4Pd2 thermodynamically stable?
What is the crystal structure of K4P4Pd2?
What is the density of K4P4Pd2?
How many polymorphs of K4P4Pd2 are known?
What elements does K4P4Pd2 contain?
Where does the data for K4P4Pd2 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse class of platinum-group alloy catalysts, K4P4Pd2 stands out due to its semiconducting character, which contrasts with the typically metallic behavior found in siblings like BaPd or LaRh. While many members of this group, such as GeRu or As2Pt, are studied for their high-performance catalytic properties in industrial processes, K4P4Pd2 offers a more specialized electronic profile that bridges the gap between traditional metallic catalysts and insulating phosphide frameworks.
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).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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