Cl6Rh2Te12
Cl6Rh2Te12 is a thermodynamically stable semiconducting alloy containing rhodium, tellurium, and chlorine, primarily studied for its potential in catalytic applications.
About Cl6Rh2Te12
Cl6Rh2Te12 is a structurally distinct member of the platinum-group alloy catalyst family. Characterized by its semiconducting electronic nature, this compound occupies a stable position on the thermodynamic convex hull, indicating significant structural integrity under standard conditions.
Its unique combination of rhodium, tellurium, and chlorine makes it a specialized subject for research into catalytic mechanisms. By leveraging its stable electronic configuration, scientists utilize this material to explore complex surface reactions and potential applications in chemical synthesis.
Key Properties
Cross-validated computational properties for Cl6Rh2Te12, 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 Cl6Rh2Te12, 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 | 1.09 | 0.0000 | -19.939 | 5.34 |
| R-3c (No. 167) | — | — | — | — | — |
| — | — | — | — | — | 5.03 |
Applications
Where Cl6Rh2Te12 is used.
Frequently Asked Questions
Common questions about Cl6Rh2Te12, answered from cross-validated data.
What is Cl6Rh2Te12?
Cl6Rh2Te12 is a thermodynamically stable semiconducting alloy containing rhodium, tellurium, and chlorine, primarily studied for its potential in catalytic applications.
What is Cl6Rh2Te12 used for?
What is the band gap of Cl6Rh2Te12?
Is Cl6Rh2Te12 a metal, semiconductor, or insulator?
Is Cl6Rh2Te12 thermodynamically stable?
What is the crystal structure of Cl6Rh2Te12?
What is the density of Cl6Rh2Te12?
How many polymorphs of Cl6Rh2Te12 are known?
What elements does Cl6Rh2Te12 contain?
Where does the data for Cl6Rh2Te12 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Unlike the metallic intermetallics such as BaPd or GeRu, Cl6Rh2Te12 stands out within the platinum-group alloy class due to its semiconducting character. While many siblings like As2Ir or P3Ru are primarily investigated for their metallic conductivity and structural simplicity, this compound offers a more complex coordination environment that provides a different pathway for catalytic activity.
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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