CdFeRh2
CdFeRh2 is a semiconducting ternary alloy containing cadmium, iron, and rhodium that is primarily studied for its structural properties in catalytic research.
About CdFeRh2
CdFeRh2 is a specialized semiconducting compound within the platinum-group alloy catalyst family. Its complex composition involving cadmium, iron, and rhodium positions it as a subject of interest for researchers exploring electronic properties in transition metal systems.
While this compound is currently classified as thermodynamically unstable relative to the ground state, its existence in multiple structural configurations across databases highlights its significance in theoretical materials science. It serves as a data-rich case study for understanding phase stability in ternary alloy systems.
Key Properties
Cross-validated computational properties for CdFeRh2, 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 CdFeRh2, 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 | 0.25 | 2.5173 | -3.548 | 0.75 |
| P4/mmm (No. 123) | — | — | — | — | — |
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Applications
Where CdFeRh2 is used.
Frequently Asked Questions
Common questions about CdFeRh2, answered from cross-validated data.
What is CdFeRh2?
CdFeRh2 is a semiconducting ternary alloy containing cadmium, iron, and rhodium that is primarily studied for its structural properties in catalytic research.
What is CdFeRh2 used for?
What is the band gap of CdFeRh2?
Is CdFeRh2 a metal, semiconductor, or insulator?
Is CdFeRh2 thermodynamically stable?
What is the crystal structure of CdFeRh2?
What is the density of CdFeRh2?
How many polymorphs of CdFeRh2 are known?
What elements does CdFeRh2 contain?
Where does the data for CdFeRh2 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Compared to more stable platinum-group alloys like LaRh or BaPd, CdFeRh2 occupies a distinct niche as a metastable semiconducting phase. While many of its class members are characterized by their robust metallic behavior, this compound offers a unique electronic profile that sets it apart from the more common, stable intermetallic catalysts in the group.
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).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- alexandria — Data from alexandria.
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