Sb2Ir
Sb2Ir is a thermodynamically stable, semiconducting intermetallic alloy composed of iridium and antimony, primarily utilized in catalytic materials science research.
About Sb2Ir
Sb2Ir is a thermodynamically stable intermetallic compound belonging to the class of platinum-group alloy catalysts. As a semiconducting material, it represents a specialized electronic configuration within this group, offering distinct pathways for chemical reactivity and surface interactions. Its presence on the convex hull underscores its structural integrity, making it a reliable subject for fundamental materials research. The compound is frequently investigated for its potential in catalytic applications where precise control over electronic properties is required to optimize reaction kinetics. Its structural diversity, evidenced by numerous reported configurations, suggests a high degree of adaptability in solid-state synthesis.
Key Properties
Cross-validated computational properties for Sb2Ir, 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 Sb2Ir, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 0.51 | 0.0000 | -35.043 | 10.77 |
| P3m1 (No. 156) | Trigonal | — | — | — | 15.75 |
| Cmmm (No. 65) | Orthorhombic | — | — | — | 14.64 |
| C2/m (No. 12) | Monoclinic | — | — | — | 7.12 |
| C2/m (No. 12) | Monoclinic | — | — | — | 10.85 |
| Cm (No. 8) | Monoclinic | — | — | — | 12.40 |
| Cm (No. 8) | Monoclinic | — | — | — | 9.31 |
| Cm (No. 8) | Monoclinic | — | — | — | 7.65 |
| P2/m (No. 10) | Monoclinic | — | — | — | 6.25 |
| P2/m (No. 10) | Monoclinic | — | — | — | 10.81 |
| R-3m (No. 166) | Trigonal | — | — | — | 15.70 |
| R-3m (No. 166) | Trigonal | — | — | — | 6.48 |
Applications
Where Sb2Ir is used.
Frequently Asked Questions
Common questions about Sb2Ir, answered from cross-validated data.
What is Sb2Ir?
Sb2Ir is a thermodynamically stable, semiconducting intermetallic alloy composed of iridium and antimony, primarily utilized in catalytic materials science research.
What is Sb2Ir used for?
What is the band gap of Sb2Ir?
Is Sb2Ir a metal, semiconductor, or insulator?
Is Sb2Ir thermodynamically stable?
What is the crystal structure of Sb2Ir?
What is the density of Sb2Ir?
How many polymorphs of Sb2Ir are known?
What elements does Sb2Ir contain?
Where does the data for Sb2Ir come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse family of platinum-group alloys, Sb2Ir distinguishes itself from siblings like As2Ir and As2Pt through its unique semiconducting electronic character. While many members of this class exhibit metallic behavior, the specific bonding environment in Sb2Ir allows for a more controlled electronic landscape, positioning it as a specialized alternative for catalytic processes that demand non-metallic charge transport properties.
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.
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