Hf2Os1Ru1
Hf2Os1Ru1 is a stable, semiconducting ternary alloy composed of hafnium, osmium, and ruthenium used in advanced catalytic research.
About Hf2Os1Ru1
Hf2Os1Ru1 is a distinct member of the platinum-group alloy catalyst family, characterized by its semiconducting electronic behavior. As a thermodynamically stable phase located on the convex hull, it represents a robust crystalline arrangement that has been extensively documented across various structural databases. Its unique composition of hafnium, osmium, and ruthenium allows it to function in specialized catalytic environments where stability and electronic control are paramount. The material is primarily of interest for its potential in high-performance chemical processing and advanced materials research, where its specific electronic properties can be leveraged for improved reaction efficiency. By balancing the refractory nature of hafnium with the catalytic activity of platinum-group metals, this compound serves as a critical building block for next-generation catalyst design.
Key Properties
Cross-validated computational properties for Hf2Os1Ru1, 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 Hf2Os1Ru1, 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 | -43.060 | 15.92 |
| Immm (No. 71) | orthorhombic | 0.20 | 4.2742 | -38.786 | 1.36 |
| P4/mmm (No. 123) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| R3m (No. 160) | — | — | — | — | — |
Applications
Where Hf2Os1Ru1 is used.
Frequently Asked Questions
Common questions about Hf2Os1Ru1, answered from cross-validated data.
What is Hf2Os1Ru1?
Hf2Os1Ru1 is a stable, semiconducting ternary alloy composed of hafnium, osmium, and ruthenium used in advanced catalytic research.
What is Hf2Os1Ru1 used for?
What is the band gap of Hf2Os1Ru1?
Is Hf2Os1Ru1 a metal, semiconductor, or insulator?
Is Hf2Os1Ru1 thermodynamically stable?
What is the crystal structure of Hf2Os1Ru1?
What is the density of Hf2Os1Ru1?
How many polymorphs of Hf2Os1Ru1 are known?
What elements does Hf2Os1Ru1 contain?
Where does the data for Hf2Os1Ru1 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Unlike many other members of this class, such as the binary GeRu or the more common As2Pt, Hf2Os1Ru1 incorporates a ternary metal framework that balances stability with semiconducting characteristics. While siblings like Ga2Ru or BaPd often exhibit metallic behavior, this compound stands out for its specific electronic gap, making it a unique candidate for applications requiring non-metallic catalytic surfaces.
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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