Al2IrTc
Al2IrTc is a semiconducting ternary alloy containing aluminum, iridium, and technetium that is primarily studied for its structural properties in catalytic research.
About Al2IrTc
Al2IrTc is a complex intermetallic compound belonging to the platinum-group alloy catalyst class. Characterized by its semiconducting electronic nature, this material represents an intriguing intersection of transition metal chemistry and structural complexity. Its presence across multiple databases highlights its significance in the study of ternary alloy systems.
Despite its thermodynamic position above the hull, which suggests potential instability under standard conditions, the existence of multiple reported structures makes it a subject of interest for computational materials science. It serves as a model for understanding how iridium and technetium can be integrated into aluminum-rich frameworks to tune electronic properties for catalytic research.
Key Properties
Cross-validated computational properties for Al2IrTc, 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 Al2IrTc, 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 | 0.55 | 3.3876 | -20.336 | 0.77 |
| Immm (No. 71) | — | — | — | — | — |
| — | — | — | — | — | 10.04 |
| — | — | — | — | — | 9.46 |
| Cmmm (No. 65) | — | — | — | — | — |
| — | — | — | — | — | 10.26 |
| — | — | — | — | — | 9.97 |
Applications
Where Al2IrTc is used.
Frequently Asked Questions
Common questions about Al2IrTc, answered from cross-validated data.
What is Al2IrTc?
Al2IrTc is a semiconducting ternary alloy containing aluminum, iridium, and technetium that is primarily studied for its structural properties in catalytic research.
What is Al2IrTc used for?
What is the band gap of Al2IrTc?
Is Al2IrTc a metal, semiconductor, or insulator?
Is Al2IrTc thermodynamically stable?
What is the crystal structure of Al2IrTc?
What is the density of Al2IrTc?
How many polymorphs of Al2IrTc are known?
What elements does Al2IrTc contain?
Where does the data for Al2IrTc come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse family of platinum-group alloys, Al2IrTc occupies a unique niche compared to more stable, well-characterized members like As2Ir or IrSe2. While many of its siblings are studied for their robust metallic behavior or specific superconducting properties, Al2IrTc is notable for its semiconducting character, which distinguishes it from the predominantly metallic nature of compounds like BaPd or LaRh.
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).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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