Ca1La1Rh2
Ca1La1Rh2 is a semiconducting intermetallic compound composed of calcium, lanthanum, and rhodium that is studied for its unique structural and electronic properties in catalytic research.
About Ca1La1Rh2
Ca1La1Rh2 is a complex intermetallic compound categorized within the platinum-group alloy catalysts. As a semiconducting material, it represents a specialized niche in electronic behavior compared to typical metallic catalysts, offering unique potential for surface-mediated reactions. Its structural complexity is evidenced by a significant number of reported configurations, highlighting its multifaceted nature in solid-state chemistry. Although it currently sits above the thermodynamic hull, its existence in structural databases underscores the ongoing interest in exploring metastable phases for catalytic applications. This compound is primarily studied in academic settings to understand how rare-earth and transition metal combinations influence electronic properties and reactivity.
Key Properties
Cross-validated computational properties for Ca1La1Rh2, 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 Ca1La1Rh2, 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 | 0.69 | 1.5616 | -4.411 | 0.62 |
| Cmmm (No. 65) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| Cmm2 (No. 35) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| Pmm2 (No. 25) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
Applications
Where Ca1La1Rh2 is used.
Frequently Asked Questions
Common questions about Ca1La1Rh2, answered from cross-validated data.
What is Ca1La1Rh2?
Ca1La1Rh2 is a semiconducting intermetallic compound composed of calcium, lanthanum, and rhodium that is studied for its unique structural and electronic properties in catalytic research.
What is Ca1La1Rh2 used for?
What is the band gap of Ca1La1Rh2?
Is Ca1La1Rh2 a metal, semiconductor, or insulator?
Is Ca1La1Rh2 thermodynamically stable?
What is the crystal structure of Ca1La1Rh2?
What is the density of Ca1La1Rh2?
How many polymorphs of Ca1La1Rh2 are known?
What elements does Ca1La1Rh2 contain?
Where does the data for Ca1La1Rh2 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Unlike more stable or widely utilized members of the platinum-group alloy class such as LaRh, Ca1La1Rh2 exhibits a distinct semiconducting character that sets it apart from the typical metallic behavior found in many other alloys like Ga2Ru or GeRu. While siblings like IrSe2 or As2Pt are often investigated for their robust stability, this compound is notable for its structural diversity despite its metastable nature, providing a different experimental pathway for researchers studying unconventional catalyst compositions.
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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