Hf1Rh2Zn1
Hf1Rh2Zn1 is a stable, semiconducting intermetallic alloy composed of hafnium, rhodium, and zinc that is primarily studied for its potential catalytic properties.
About Hf1Rh2Zn1
Hf1Rh2Zn1 is a complex intermetallic compound belonging to the class of platinum-group alloy catalysts. Characterized by its semiconducting electronic nature, this material maintains high thermodynamic stability, positioning it as a robust candidate for advanced chemical processing applications.
Its structural integrity is supported by extensive data, reflecting its role as a stable phase within multicomponent metal systems. By leveraging the unique electronic environment provided by the combination of hafnium, rhodium, and zinc, this compound offers a distinct platform for studying catalytic surface interactions.
Key Properties
Cross-validated computational properties for Hf1Rh2Zn1, 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 Hf1Rh2Zn1, 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 | 0.0000 | -26.503 | 12.40 |
| Immm (No. 71) | orthorhombic | 0.41 | 2.7080 | -23.795 | 0.91 |
| P4/mmm (No. 123) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
Applications
Where Hf1Rh2Zn1 is used.
Frequently Asked Questions
Common questions about Hf1Rh2Zn1, answered from cross-validated data.
What is Hf1Rh2Zn1?
Hf1Rh2Zn1 is a stable, semiconducting intermetallic alloy composed of hafnium, rhodium, and zinc that is primarily studied for its potential catalytic properties.
What is Hf1Rh2Zn1 used for?
What is the band gap of Hf1Rh2Zn1?
Is Hf1Rh2Zn1 a metal, semiconductor, or insulator?
Is Hf1Rh2Zn1 thermodynamically stable?
What is the crystal structure of Hf1Rh2Zn1?
What is the density of Hf1Rh2Zn1?
How many polymorphs of Hf1Rh2Zn1 are known?
What elements does Hf1Rh2Zn1 contain?
Where does the data for Hf1Rh2Zn1 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse family of platinum-group alloys, Hf1Rh2Zn1 distinguishes itself through its semiconducting behavior, which contrasts with the typically metallic nature of siblings like LaRh or BaPd. While many related compounds in this class are optimized for specific metallic conduction pathways, Hf1Rh2Zn1 provides a unique electronic landscape that may offer different selectivity or activity profiles in catalytic environments.
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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