CaRh2Sc
CaRh2Sc is a semiconducting ternary intermetallic compound composed of calcium, rhodium, and scandium that is primarily studied for its structural properties within the platinum-group alloy class.
About CaRh2Sc
CaRh2Sc is a ternary intermetallic compound classified within the platinum-group alloy catalyst family. Characterized by semiconducting electronic behavior, this material represents a complex arrangement of calcium, rhodium, and scandium atoms that has been documented across multiple structural databases. Its existence as a metastable phase suggests unique synthetic challenges and potential for specialized catalytic activity in tailored chemical environments. Because it sits above the thermodynamic hull, CaRh2Sc is of particular interest to researchers studying phase stability and the kinetics of formation in transition metal systems. Its structural complexity highlights the diverse bonding architectures possible when combining alkaline earth metals with noble transition metals and rare earth elements.
Key Properties
Cross-validated computational properties for CaRh2Sc, 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 CaRh2Sc, 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 | 0.60 | 2.2904 | -4.167 | 0.51 |
| — | — | — | — | — | 6.06 |
| — | — | — | — | — | — |
| — | — | — | — | — | — |
Applications
Where CaRh2Sc is used.
Frequently Asked Questions
Common questions about CaRh2Sc, answered from cross-validated data.
What is CaRh2Sc?
CaRh2Sc is a semiconducting ternary intermetallic compound composed of calcium, rhodium, and scandium that is primarily studied for its structural properties within the platinum-group alloy class.
What is CaRh2Sc used for?
What is the band gap of CaRh2Sc?
Is CaRh2Sc a metal, semiconductor, or insulator?
Is CaRh2Sc thermodynamically stable?
What is the crystal structure of CaRh2Sc?
What is the density of CaRh2Sc?
How many polymorphs of CaRh2Sc are known?
What elements does CaRh2Sc contain?
Where does the data for CaRh2Sc come from?
How It Compares
Within the platinum-group alloy catalysts class.
Unlike more stable binary counterparts such as LaRh or BaPd, CaRh2Sc exists as a metastable phase, reflecting the heightened complexity of balancing ternary stoichiometry compared to simpler platinum-group alloy systems like As2Pt 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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- alexandria — Data from alexandria.
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