Re1Rh1Zr2
Re1Rh1Zr2 is a semimetallic platinum-group alloy that shows promise for catalytic applications due to its stable structural configuration.
About Re1Rh1Zr2
Re1Rh1Zr2 is a complex intermetallic compound categorized within the platinum-group alloy catalyst class. Characterized as a near-zero-gap semimetallic material, it exhibits electronic properties that bridge the divide between metals and semiconductors, making it a subject of interest for specialized catalytic surfaces.
The compound is recognized for its near-hull thermodynamic stability, suggesting it is a viable candidate for experimental synthesis. Its structural complexity, evidenced by its presence across multiple reported configurations, highlights its versatility as a potential precursor or active phase in high-performance chemical processing.
Key Properties
Cross-validated computational properties for Re1Rh1Zr2, 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 Re1Rh1Zr2, 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 | 0.0102 | -9.777 | 11.06 |
| Immm (No. 71) | orthorhombic | 0.08 | 3.9082 | -5.879 | 0.96 |
| I-4m2 (No. 119) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
Applications
Where Re1Rh1Zr2 is used.
Frequently Asked Questions
Common questions about Re1Rh1Zr2, answered from cross-validated data.
What is Re1Rh1Zr2?
Re1Rh1Zr2 is a semimetallic platinum-group alloy that shows promise for catalytic applications due to its stable structural configuration.
What is Re1Rh1Zr2 used for?
What is the band gap of Re1Rh1Zr2?
Is Re1Rh1Zr2 a metal, semiconductor, or insulator?
Is Re1Rh1Zr2 thermodynamically stable?
What is the crystal structure of Re1Rh1Zr2?
What is the density of Re1Rh1Zr2?
How many polymorphs of Re1Rh1Zr2 are known?
What elements does Re1Rh1Zr2 contain?
Where does the data for Re1Rh1Zr2 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse family of platinum-group alloys, Re1Rh1Zr2 occupies a unique niche compared to more conventional binary systems like LaRh or BaPd. While many siblings in this class focus on simple stoichiometry, the inclusion of rhenium and zirconium in this specific arrangement provides a distinct electronic landscape that differentiates it from the more common ruthenium-based catalysts such as GeRu or Ga2Ru.
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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