Be2CuPd
Be2CuPd is a semiconducting intermetallic alloy composed of beryllium, copper, and palladium that is studied for its unique structural and electronic properties.
About Be2CuPd
Be2CuPd is a specialized intermetallic compound categorized within the platinum-group alloy catalysts. Its electronic character as a semiconductor distinguishes it from many metallic alloys in this class, suggesting unique charge transport properties that are of interest for fundamental materials research. Although it is currently identified as residing above the thermodynamic hull, the existence of multiple reported structural variations indicates that this compound remains a subject of active experimental and theoretical investigation. Its composition, blending beryllium with copper and palladium, positions it as a complex candidate for studying site-specific catalytic activity.
Key Properties
Cross-validated computational properties for Be2CuPd, 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 Be2CuPd, 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 | 1.16 | 2.2663 | -2.272 | 0.60 |
| P4mm (No. 99) | — | — | — | — | — |
| — | — | — | — | — | — |
| — | — | — | — | — | — |
Applications
Where Be2CuPd is used.
Frequently Asked Questions
Common questions about Be2CuPd, answered from cross-validated data.
What is Be2CuPd?
Be2CuPd is a semiconducting intermetallic alloy composed of beryllium, copper, and palladium that is studied for its unique structural and electronic properties.
What is Be2CuPd used for?
What is the band gap of Be2CuPd?
Is Be2CuPd a metal, semiconductor, or insulator?
Is Be2CuPd thermodynamically stable?
What is the crystal structure of Be2CuPd?
What is the density of Be2CuPd?
How many polymorphs of Be2CuPd are known?
What elements does Be2CuPd contain?
Where does the data for Be2CuPd come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse landscape of platinum-group alloys, Be2CuPd occupies a niche position compared to more common intermetallics like BaPd or LaRh. While many of its siblings exhibit metallic conductivity and high thermodynamic stability, Be2CuPd is notable for its semiconducting nature and its status as a metastable phase, highlighting the structural diversity possible when incorporating light elements like beryllium into transition metal lattices.
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).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- alexandria — Data from alexandria.
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