Co1Rh1Sc2
Co1Rh1Sc2 is a semiconducting intermetallic alloy containing cobalt, rhodium, and scandium that is being investigated for its potential catalytic properties.
About Co1Rh1Sc2
Co1Rh1Sc2 is a specialized intermetallic compound belonging to the class of platinum-group alloy catalysts. Characterized by its semiconducting electronic nature, this material represents a complex structural arrangement involving cobalt, rhodium, and scandium elements. Its thermodynamic stability near the hull suggests it is a viable candidate for experimental synthesis and characterization.
As a member of this catalytic family, the compound is studied for its potential to facilitate chemical transformations. Given the high structural diversity observed in its data records, it serves as an intriguing model for understanding how transition metal combinations influence electronic properties and catalytic performance in advanced material systems.
Key Properties
Cross-validated computational properties for Co1Rh1Sc2, aggregated across 2 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 Co1Rh1Sc2, 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. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 0.00 | 0.0223 | -7.463 | 6.45 |
| Immm (No. 71) | orthorhombic | 0.43 | 2.7996 | -4.686 | 0.52 |
| Fm-3m (No. 225) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
Applications
Where Co1Rh1Sc2 is used.
Frequently Asked Questions
Common questions about Co1Rh1Sc2, answered from cross-validated data.
What is Co1Rh1Sc2?
Co1Rh1Sc2 is a semiconducting intermetallic alloy containing cobalt, rhodium, and scandium that is being investigated for its potential catalytic properties.
What is Co1Rh1Sc2 used for?
What is the band gap of Co1Rh1Sc2?
Is Co1Rh1Sc2 a metal, semiconductor, or insulator?
Is Co1Rh1Sc2 thermodynamically stable?
What is the crystal structure of Co1Rh1Sc2?
What is the density of Co1Rh1Sc2?
How many polymorphs of Co1Rh1Sc2 are known?
What elements does Co1Rh1Sc2 contain?
Where does the data for Co1Rh1Sc2 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse landscape of platinum-group alloys, Co1Rh1Sc2 occupies a unique niche compared to binary phases like LaRh or GeRu. While many members of this class exhibit metallic behavior, the semiconducting nature of this ternary compound distinguishes it from the more conventional metallic conductors, offering a different pathway for electronic tuning in catalytic applications.
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).
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