Be3Pd
Be3Pd is a metallic, metastable beryllium-palladium alloy used primarily in materials science research.
About Be3Pd
Be3Pd is a metallic platinum-group alloy that exists in a metastable state. Its complex structural landscape is highlighted by its presence across numerous databases, reflecting significant interest in its atomic arrangement and potential catalytic behavior.
As a member of the platinum-group alloy class, this compound serves as a subject for studying intermetallic stability and electronic properties. Its metallic character makes it a candidate for fundamental research into how beryllium-palladium interactions influence surface reactivity and structural integrity.
Key Properties
Cross-validated computational properties for Be3Pd, aggregated across 5 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 Be3Pd, 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. |
|---|---|---|---|---|---|
| I4/mmm (No. 139) | tetragonal | 0.00 | 0.0714 | -4.413 | 5.58 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.97 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.19 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.67 |
| R-3m (No. 166) | Trigonal | — | — | — | 3.52 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.22 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.17 |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 5.58 |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 5.63 |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 5.61 |
| I4/mmm (No. 139) | — | — | — | — | — |
| — | — | — | — | — | 5.58 |
Applications
Where Be3Pd is used.
Frequently Asked Questions
Common questions about Be3Pd, answered from cross-validated data.
What is Be3Pd?
Be3Pd is a metallic, metastable beryllium-palladium alloy used primarily in materials science research.
What is Be3Pd used for?
What is the band gap of Be3Pd?
Is Be3Pd a metal, semiconductor, or insulator?
Is Be3Pd thermodynamically stable?
What is the crystal structure of Be3Pd?
What is the density of Be3Pd?
How many polymorphs of Be3Pd are known?
What elements does Be3Pd contain?
Where does the data for Be3Pd come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse group of platinum-group alloys like BaPd and GeRu, Be3Pd is distinguished by its specific stoichiometry and metastable nature. While many siblings in this category exhibit varied electronic behaviors, Be3Pd stands out for its structural diversity, having been characterized in a wide array of distinct configurations compared to other intermetallic phases.
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).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
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