Ir2Ta2
Ir2Ta2 is a stable, metallic alloy composed of iridium and tantalum that serves as a specialized catalyst in industrial and chemical processes.
About Ir2Ta2
Ir2Ta2 is a metallic alloy belonging to the platinum-group catalyst family. As a thermodynamically stable phase located on the convex hull, it represents a robust structural configuration that maintains integrity under various conditions. Its metallic nature suggests high electrical conductivity, which is a critical feature for materials intended for electrochemical or catalytic surface reactions. The compound is supported by significant structural data, reflecting its established presence in materials science research. Its role centers on leveraging the synergistic properties of iridium and tantalum to facilitate complex chemical transformations. By combining a noble metal with a refractory transition metal, this alloy is engineered to balance high activity with structural durability, making it a subject of interest for specialized industrial catalysis where harsh environments are common.
Key Properties
Cross-validated computational properties for Ir2Ta2, 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 Ir2Ta2, 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. |
|---|---|---|---|---|---|
| Pmma (No. 51) | orthorhombic | 0.00 | 0.0000 | -51.123 | 19.47 |
| Cmme (No. 67) | — | — | — | — | — |
| Fd-3m (No. 227) | — | — | — | — | — |
| P4/nmm (No. 129) | — | — | — | — | — |
| Cmcm (No. 63) | — | — | — | — | — |
| — | — | — | — | — | 19.12 |
| Pmma (No. 51) | — | — | — | — | — |
| P4/nmm (No. 129) | — | — | — | — | — |
| P4/nmm (No. 129) | — | — | — | — | — |
| P63/mmc (No. 194) | — | — | — | — | — |
| Pmmn (No. 59) | — | — | — | — | — |
| P-3m1 (No. 164) | — | — | — | — | — |
Applications
Where Ir2Ta2 is used.
Frequently Asked Questions
Common questions about Ir2Ta2, answered from cross-validated data.
What is Ir2Ta2?
Ir2Ta2 is a stable, metallic alloy composed of iridium and tantalum that serves as a specialized catalyst in industrial and chemical processes.
What is Ir2Ta2 used for?
What is the band gap of Ir2Ta2?
Is Ir2Ta2 a metal, semiconductor, or insulator?
Is Ir2Ta2 thermodynamically stable?
What is the crystal structure of Ir2Ta2?
What is the density of Ir2Ta2?
How many polymorphs of Ir2Ta2 are known?
What elements does Ir2Ta2 contain?
Where does the data for Ir2Ta2 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the class of platinum-group alloy catalysts, Ir2Ta2 distinguishes itself through its thermodynamic stability, positioning it as a reliable candidate compared to more volatile or metastable variants like As2Ir or Ga2Ru. While many members of this group are explored for their specific electronic tuning, Ir2Ta2 offers a stable, metallic framework that contrasts with the diverse structural behaviors seen in siblings like IrSe2 or P3Ru, emphasizing its utility in applications requiring long-term material resilience.
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).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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