Ir2SiZn
Ir2SiZn is a semiconducting ternary intermetallic compound belonging to the platinum-group alloy catalyst family.
About Ir2SiZn
Ir2SiZn is a complex ternary intermetallic compound categorized within the platinum-group alloy catalysts. Its electronic character is defined by semiconducting behavior, distinguishing it from the purely metallic nature of many related iridium-based systems. The material has been identified across multiple structural configurations in various databases, highlighting its interest to researchers studying ternary phase space. Due to its position above the thermodynamic hull, it is considered a metastable phase that requires specific synthesis conditions to stabilize. This makes it a subject of fundamental study for understanding the formation of complex iridium-silicon-zinc architectures. Its potential utility lies in the exploration of catalytic surfaces where the specific arrangement of heavy platinum-group metals and lighter main-group elements can tune electronic properties for chemical transformations.
Key Properties
Cross-validated computational properties for Ir2SiZn, 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 Ir2SiZn, 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 | 2.7647 | -28.315 | 1.11 |
| — | — | — | — | — | 14.13 |
| I-42d (No. 122) | — | — | — | — | — |
| — | — | — | — | — | 14.13 |
Applications
Where Ir2SiZn is used.
Frequently Asked Questions
Common questions about Ir2SiZn, answered from cross-validated data.
What is Ir2SiZn?
Ir2SiZn is a semiconducting ternary intermetallic compound belonging to the platinum-group alloy catalyst family.
What is Ir2SiZn used for?
What is the band gap of Ir2SiZn?
Is Ir2SiZn a metal, semiconductor, or insulator?
Is Ir2SiZn thermodynamically stable?
What is the crystal structure of Ir2SiZn?
What is the density of Ir2SiZn?
How many polymorphs of Ir2SiZn are known?
What elements does Ir2SiZn contain?
Where does the data for Ir2SiZn come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the class of platinum-group alloy catalysts, Ir2SiZn occupies a unique niche compared to siblings like As2Ir or GeRu. While many members of this group exhibit metallic conductivity, Ir2SiZn is notable for its semiconducting electronic character. Unlike the more thermodynamically stable phases often found in this category, Ir2SiZn represents a metastable structural variant, providing a distinct contrast to the more robust intermetallic structures commonly observed in iridium-based alloy research.
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).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
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