Ca2Na1Rh1
Ca2Na1Rh1 is a metastable, semiconducting alloy composed of calcium, sodium, and rhodium used in specialized catalytic research.
About Ca2Na1Rh1
Ca2Na1Rh1 is a specialized semiconducting alloy belonging to the platinum-group catalyst family. Its composition, integrating calcium and sodium with rhodium, creates a unique electronic environment that distinguishes it from more traditional metallic catalysts. Although it is classified as metastable, its complex structural landscape suggests potential for tailored reactivity in specific chemical processes.
This material is of significant interest to researchers investigating the intersection of alkaline earth metals and precious metals. By leveraging its semiconducting nature, scientists aim to explore new pathways for catalytic surface interactions that are not easily accessible through standard metallic alloys.
Key Properties
Cross-validated computational properties for Ca2Na1Rh1, 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 Ca2Na1Rh1, 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 | 0.0892 | -10.570 | 3.45 |
| Immm (No. 71) | orthorhombic | 0.16 | 1.4534 | -9.205 | 0.25 |
| P4/mmm (No. 123) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
Applications
Where Ca2Na1Rh1 is used.
Frequently Asked Questions
Common questions about Ca2Na1Rh1, answered from cross-validated data.
What is Ca2Na1Rh1?
Ca2Na1Rh1 is a metastable, semiconducting alloy composed of calcium, sodium, and rhodium used in specialized catalytic research.
What is Ca2Na1Rh1 used for?
What is the band gap of Ca2Na1Rh1?
Is Ca2Na1Rh1 a metal, semiconductor, or insulator?
Is Ca2Na1Rh1 thermodynamically stable?
What is the crystal structure of Ca2Na1Rh1?
What is the density of Ca2Na1Rh1?
How many polymorphs of Ca2Na1Rh1 are known?
What elements does Ca2Na1Rh1 contain?
Where does the data for Ca2Na1Rh1 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the class of platinum-group alloy catalysts, Ca2Na1Rh1 occupies a distinct niche compared to more conventional intermetallics like LaRh or GeRu. While many siblings in this group exhibit metallic conductivity, Ca2Na1Rh1 is notable for its semiconducting character, which offers a different electronic profile for surface-mediated reactions compared to the highly conductive nature of compounds such as BaPd or IrSe2.
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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