As4K4Pt2
As4K4Pt2 is a thermodynamically stable semiconducting alloy composed of arsenic, potassium, and platinum.
About As4K4Pt2
As4K4Pt2 is a distinct member of the platinum-group alloy catalysts, characterized by its semiconducting electronic nature. Its position on the convex hull confirms that it is a thermodynamically stable phase, making it a reliable subject for structural and chemical investigations within this complex material family.
This compound represents an intriguing intersection of alkali metal chemistry and precious metal catalysis. Its stability suggests potential utility in specialized catalytic environments where electronic band structure plays a critical role in mediating chemical transformations.
Key Properties
Cross-validated computational properties for As4K4Pt2, 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 As4K4Pt2, 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 | 0.35 | 0.0000 | -4.021 | 4.97 |
| Cmcm (No. 63) | — | — | — | — | — |
| — | — | — | — | — | 5.24 |
Applications
Where As4K4Pt2 is used.
Frequently Asked Questions
Common questions about As4K4Pt2, answered from cross-validated data.
What is As4K4Pt2?
As4K4Pt2 is a thermodynamically stable semiconducting alloy composed of arsenic, potassium, and platinum.
What is As4K4Pt2 used for?
What is the band gap of As4K4Pt2?
Is As4K4Pt2 a metal, semiconductor, or insulator?
Is As4K4Pt2 thermodynamically stable?
What is the crystal structure of As4K4Pt2?
What is the density of As4K4Pt2?
How many polymorphs of As4K4Pt2 are known?
What elements does As4K4Pt2 contain?
Where does the data for As4K4Pt2 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse group of platinum-group alloys, As4K4Pt2 distinguishes itself through its specific stoichiometry and semiconducting behavior, contrasting with the metallic or more common binary phases like As2Pt or IrSe2. While many members of this class are explored for their robust metallic properties, As4K4Pt2 offers a unique electronic profile that sets it apart from simpler compounds such as BaPd or LaRh.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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