Bi4Cs4Pd2
Bi4Cs4Pd2 is a stable, semiconducting intermetallic compound composed of bismuth, cesium, and palladium.
About Bi4Cs4Pd2
Bi4Cs4Pd2 is a distinct semiconducting compound within the class of platinum-group alloy catalysts. Its position on the thermodynamic convex hull highlights its structural stability, making it a significant subject for researchers investigating complex intermetallic phases that deviate from simple metallic behavior.
This material is characterized by its unique electronic structure, which sets it apart from more traditional metallic catalysts. Its stability and semiconducting nature suggest potential utility in specialized catalytic processes where precise control over electronic properties is required to optimize reaction pathways.
Key Properties
Cross-validated computational properties for Bi4Cs4Pd2, 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 Bi4Cs4Pd2, 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 | 0.45 | 0.0000 | -38.529 | 6.26 |
| — | — | — | — | — | 5.30 |
| — | — | — | — | — | 5.99 |
| — | — | — | — | — | 7.89 |
| Cmcm (No. 63) | — | — | — | — | — |
Applications
Where Bi4Cs4Pd2 is used.
Frequently Asked Questions
Common questions about Bi4Cs4Pd2, answered from cross-validated data.
What is Bi4Cs4Pd2?
Bi4Cs4Pd2 is a stable, semiconducting intermetallic compound composed of bismuth, cesium, and palladium.
What is Bi4Cs4Pd2 used for?
What is the band gap of Bi4Cs4Pd2?
Is Bi4Cs4Pd2 a metal, semiconductor, or insulator?
Is Bi4Cs4Pd2 thermodynamically stable?
What is the crystal structure of Bi4Cs4Pd2?
What is the density of Bi4Cs4Pd2?
How many polymorphs of Bi4Cs4Pd2 are known?
What elements does Bi4Cs4Pd2 contain?
Where does the data for Bi4Cs4Pd2 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Unlike metallic platinum-group alloys such as BaPd or LaRh, Bi4Cs4Pd2 exhibits semiconducting behavior, placing it in a unique subset of this material class. While many members like GeRu or Ga2Ru are primarily studied for their structural robustness in harsh environments, this compound offers a different electronic profile that may enable more selective catalytic interactions.
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).
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