Ir2Sb2
Ir2Sb2 is a metallic, metastable iridium-antimony alloy used in the study of platinum-group catalytic materials.
About Ir2Sb2
Ir2Sb2 is a metallic compound belonging to the platinum-group alloy catalyst family. Its electronic structure is characterized by a lack of a band gap, identifying it as a conductor that facilitates efficient charge transfer in catalytic environments. Although it is classified as metastable, the compound exhibits significant structural complexity, as evidenced by its presence across multiple material databases. This structural variety suggests a versatile framework for potential chemical interactions. Researchers value this material for its unique combination of noble metal characteristics and pnictogen-based bonding, which influences its catalytic performance. Its metallic nature makes it a candidate for applications requiring high conductivity and surface reactivity, positioning it as a distinct entry within the broader landscape of iridium-based alloys.
Key Properties
Cross-validated computational properties for Ir2Sb2, 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 Ir2Sb2, 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. |
|---|---|---|---|---|---|
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0812 | -39.291 | 13.03 |
| P4/nmm (No. 129) | — | — | — | — | — |
| — | — | — | — | — | 13.25 |
| — | — | — | — | — | 13.11 |
| — | — | — | — | — | 13.63 |
| P63/mmc (No. 194) | — | — | — | — | — |
| Fd-3m (No. 227) | — | — | — | — | — |
| P63/mmc (No. 194) | — | — | — | — | — |
| P63mc (No. 186) | — | — | — | — | — |
| Cmcm (No. 63) | — | — | — | — | — |
| Cmcm (No. 63) | — | — | — | — | — |
| P4/nmm (No. 129) | — | — | — | — | — |
Applications
Where Ir2Sb2 is used.
Frequently Asked Questions
Common questions about Ir2Sb2, answered from cross-validated data.
What is Ir2Sb2?
Ir2Sb2 is a metallic, metastable iridium-antimony alloy used in the study of platinum-group catalytic materials.
What is Ir2Sb2 used for?
What is the band gap of Ir2Sb2?
Is Ir2Sb2 a metal, semiconductor, or insulator?
Is Ir2Sb2 thermodynamically stable?
What is the crystal structure of Ir2Sb2?
What is the density of Ir2Sb2?
How many polymorphs of Ir2Sb2 are known?
What elements does Ir2Sb2 contain?
Where does the data for Ir2Sb2 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the class of platinum-group alloy catalysts, Ir2Sb2 occupies a unique niche compared to more stable or common phases like As2Ir. While many members of this group are studied for their specific stoichiometric arrangements, Ir2Sb2 stands out due to its metastable nature and the high degree of structural polymorphism it exhibits across various databases, offering a different set of surface properties than its more thermodynamically robust siblings.
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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
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