Cl6Ir2Te12
Cl6Ir2Te12 is a stable, semiconducting ternary compound consisting of iridium, tellurium, and chlorine that serves as a specialized platinum-group alloy catalyst.
About Cl6Ir2Te12
Cl6Ir2Te12 is a complex ternary compound categorized within the platinum-group alloy catalysts. Characterized by its semiconducting electronic nature, this material maintains a robust thermodynamic profile, residing securely on the convex hull of stability. Its unique composition of iridium, tellurium, and chlorine positions it as a specialized candidate for research into electronic and catalytic properties. The compound is supported by multiple reported structures across major materials databases, reflecting its significance in structural chemistry. Its stability suggests potential utility in demanding environments where traditional metallic catalysts might face limitations. By bridging the gap between simple alloys and complex halide-chalcogenides, it serves as a valuable subject for investigating charge transport and surface reactivity in catalytic systems.
Key Properties
Cross-validated computational properties for Cl6Ir2Te12, 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 Cl6Ir2Te12, 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. |
|---|---|---|---|---|---|
| R-3c (No. 167) | trigonal | 1.13 | 0.0000 | -22.736 | 5.80 |
| R-3c (No. 167) | — | — | — | — | — |
| — | — | — | — | — | 5.27 |
Applications
Where Cl6Ir2Te12 is used.
Frequently Asked Questions
Common questions about Cl6Ir2Te12, answered from cross-validated data.
What is Cl6Ir2Te12?
Cl6Ir2Te12 is a stable, semiconducting ternary compound consisting of iridium, tellurium, and chlorine that serves as a specialized platinum-group alloy catalyst.
What is Cl6Ir2Te12 used for?
What is the band gap of Cl6Ir2Te12?
Is Cl6Ir2Te12 a metal, semiconductor, or insulator?
Is Cl6Ir2Te12 thermodynamically stable?
What is the crystal structure of Cl6Ir2Te12?
What is the density of Cl6Ir2Te12?
How many polymorphs of Cl6Ir2Te12 are known?
What elements does Cl6Ir2Te12 contain?
Where does the data for Cl6Ir2Te12 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse family of platinum-group alloy catalysts, Cl6Ir2Te12 distinguishes itself through its complex ternary stoichiometry compared to simpler binary systems like As2Ir or Ga2Ru. While many members of this class exhibit metallic behavior, this compound stands out for its semiconducting character, offering a different pathway for electronic interaction in catalytic applications compared to the more conductive phases like BaPd or GeRu.
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).
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