As4Cs4Pd2
As4Cs4Pd2 is a stable, semiconducting alloy containing palladium, cesium, and arsenic used in specialized catalytic research.
About As4Cs4Pd2
As4Cs4Pd2 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 exhibits a robust structural integrity that makes it a subject of significant interest for materials researchers investigating high-performance catalytic systems.
This compound is utilized in specialized chemical processes where its specific electronic configuration can influence reaction pathways. Its presence in multiple structural databases highlights its importance as a stable, well-defined material within the broader landscape of complex metal-metalloid alloys.
Key Properties
Cross-validated computational properties for As4Cs4Pd2, 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 As4Cs4Pd2, 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 | 0.95 | 0.0000 | -3.770 | 5.03 |
| — | — | — | — | — | 4.04 |
| Cmcm (No. 63) | — | — | — | — | — |
| — | — | — | — | — | 4.07 |
| — | — | — | — | — | 4.25 |
Applications
Where As4Cs4Pd2 is used.
Frequently Asked Questions
Common questions about As4Cs4Pd2, answered from cross-validated data.
What is As4Cs4Pd2?
As4Cs4Pd2 is a stable, semiconducting alloy containing palladium, cesium, and arsenic used in specialized catalytic research.
What is As4Cs4Pd2 used for?
What is the band gap of As4Cs4Pd2?
Is As4Cs4Pd2 a metal, semiconductor, or insulator?
Is As4Cs4Pd2 thermodynamically stable?
What is the crystal structure of As4Cs4Pd2?
What is the density of As4Cs4Pd2?
How many polymorphs of As4Cs4Pd2 are known?
What elements does As4Cs4Pd2 contain?
Where does the data for As4Cs4Pd2 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse class of platinum-group alloy catalysts, As4Cs4Pd2 distinguishes itself through its semiconducting behavior, contrasting with the more metallic or highly conductive nature often found in siblings like BaPd or LaRh. While many members of this group are optimized for traditional hydrogenation or oxidation, the unique electronic landscape of As4Cs4Pd2 offers a different approach to catalytic activity compared to more conventional noble metal alloys 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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
Analyze As4Cs4Pd2 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →