Ca2Cu1Rh1
Ca2Cu1Rh1 is a metastable, semiconducting intermetallic compound composed of calcium, copper, and rhodium.
About Ca2Cu1Rh1
Ca2Cu1Rh1 is a specialized ternary intermetallic compound categorized within the platinum-group alloy catalysts. Characterized by its semiconducting electronic nature, this material represents a unique intersection of alkaline earth and noble metal chemistry, offering distinct electronic properties for research in surface science and catalysis.
As a metastable phase, it holds significant interest for materials scientists studying phase stability and structural evolution. Its existence within a diverse landscape of reported structures highlights its complexity and the ongoing efforts to stabilize and utilize such rare intermetallic combinations in specialized chemical environments.
Key Properties
Cross-validated computational properties for Ca2Cu1Rh1, 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 Ca2Cu1Rh1, 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 | 0.0357 | -12.505 | 4.78 |
| Immm (No. 71) | orthorhombic | 0.57 | 1.6423 | -10.898 | 0.40 |
| P4/mmm (No. 123) | — | — | — | — | — |
| Amm2 (No. 38) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
Applications
Where Ca2Cu1Rh1 is used.
Frequently Asked Questions
Common questions about Ca2Cu1Rh1, answered from cross-validated data.
What is Ca2Cu1Rh1?
Ca2Cu1Rh1 is a metastable, semiconducting intermetallic compound composed of calcium, copper, and rhodium.
What is Ca2Cu1Rh1 used for?
What is the band gap of Ca2Cu1Rh1?
Is Ca2Cu1Rh1 a metal, semiconductor, or insulator?
Is Ca2Cu1Rh1 thermodynamically stable?
What is the crystal structure of Ca2Cu1Rh1?
What is the density of Ca2Cu1Rh1?
How many polymorphs of Ca2Cu1Rh1 are known?
What elements does Ca2Cu1Rh1 contain?
Where does the data for Ca2Cu1Rh1 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the broader class of platinum-group alloy catalysts, Ca2Cu1Rh1 occupies a distinct niche compared to more conventional binary systems like LaRh or BaPd. While many siblings in this group are characterized by metallic behavior, the semiconducting nature of this compound sets it apart, offering a different electronic platform for catalytic activity than the highly conductive IrSe2 or GeRu counterparts.
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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