Cr3Ru
Cr3Ru is a metallic, metastable alloy composed of chromium and ruthenium that serves as a subject of study in platinum-group catalytic materials.
About Cr3Ru
Cr3Ru is a metallic alloy within the platinum-group catalyst class, characterized by its distinct structural versatility. As a metastable phase, it represents a complex material system that is frequently analyzed for its potential in specialized chemical transformations where transition metal interactions are critical.
Its metallic nature ensures efficient electron transport, a key feature for catalytic applications. The compound is of significant interest in materials science due to its structural diversity, supported by extensive data across multiple research databases.
Key Properties
Cross-validated computational properties for Cr3Ru, aggregated across 5 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 Cr3Ru, 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. |
|---|---|---|---|---|---|
| Pm-3n (No. 223) | cubic | 0.00 | 0.0820 | -17.579 | 8.59 |
| Cmmm (No. 65) | orthorhombic | 0.00 | 0.1773 | -17.484 | 8.59 |
| Cmmm (No. 65) | Orthorhombic | — | — | — | 8.59 |
| P1 (No. 1) | Triclinic | — | — | — | 8.47 |
| P1 (No. 1) | Triclinic | — | — | — | 8.74 |
| P2 (No. 3) | Monoclinic | — | — | — | 5.84 |
| Pm-3n (No. 223) | — | — | — | — | — |
| Cm (No. 8) | Monoclinic | — | — | — | 5.73 |
| Cm (No. 8) | Monoclinic | — | — | — | 6.33 |
| Cm (No. 8) | Monoclinic | — | — | — | 6.95 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 6.19 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 7.01 |
Applications
Where Cr3Ru is used.
Frequently Asked Questions
Common questions about Cr3Ru, answered from cross-validated data.
What is Cr3Ru?
Cr3Ru is a metallic, metastable alloy composed of chromium and ruthenium that serves as a subject of study in platinum-group catalytic materials.
What is Cr3Ru used for?
What is the band gap of Cr3Ru?
Is Cr3Ru a metal, semiconductor, or insulator?
Is Cr3Ru thermodynamically stable?
What is the crystal structure of Cr3Ru?
What is the density of Cr3Ru?
How many polymorphs of Cr3Ru are known?
What elements does Cr3Ru contain?
Where does the data for Cr3Ru come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse family of platinum-group alloys, Cr3Ru occupies a unique niche compared to more stable or stoichiometric counterparts like GeRu or Ga2Ru. While many members of this class exhibit robust thermodynamic profiles, Cr3Ru is notable for its metastable state, offering a different pathway for structural investigation and catalytic activity compared to the more conventional intermetallic phases.
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).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
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