BeIr2Zn
BeIr2Zn is a semiconducting ternary intermetallic compound belonging to the class of platinum-group alloy catalysts.
About BeIr2Zn
BeIr2Zn is a complex intermetallic compound categorized within the platinum-group alloy catalysts. Characterized by its semiconducting electronic nature, it represents a niche composition that bridges the properties of light beryllium and heavier transition metals like iridium and zinc. Its existence in multiple structural configurations highlights the structural diversity present in these ternary alloy systems. While its thermodynamic profile suggests it sits above the stability hull, the material remains a subject of interest for researchers investigating the interplay between electronic structure and catalytic potential in non-traditional alloy phases. Its study contributes to the broader understanding of how specific atomic arrangements influence the physical behavior of platinum-group metal combinations.
Key Properties
Cross-validated computational properties for BeIr2Zn, 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 BeIr2Zn, 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 | 0.21 | 3.1038 | -2.816 | 1.10 |
| — | — | — | — | — | 14.61 |
| — | — | — | — | — | — |
Applications
Where BeIr2Zn is used.
Frequently Asked Questions
Common questions about BeIr2Zn, answered from cross-validated data.
What is BeIr2Zn?
BeIr2Zn is a semiconducting ternary intermetallic compound belonging to the class of platinum-group alloy catalysts.
What is BeIr2Zn used for?
What is the band gap of BeIr2Zn?
Is BeIr2Zn a metal, semiconductor, or insulator?
Is BeIr2Zn thermodynamically stable?
What is the crystal structure of BeIr2Zn?
What is the density of BeIr2Zn?
How many polymorphs of BeIr2Zn are known?
What elements does BeIr2Zn contain?
Where does the data for BeIr2Zn come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse family of platinum-group alloys, BeIr2Zn occupies a distinct space compared to more conventional members like As2Ir or GeRu. While many alloys in this class exhibit metallic behavior, BeIr2Zn is notable for its semiconducting character, setting it apart from the typical conduction profiles found in binary counterparts like BaPd or LaRh. Its structural complexity and thermodynamic positioning suggest it is a more metastable candidate compared to the highly stable, well-characterized phases often utilized in industrial catalysis.
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).
- alexandria — Data from alexandria.
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