Cr1Nb2Ru1
Cr1Nb2Ru1 is a metastable, semimetallic intermetallic alloy containing chromium, niobium, and ruthenium that is studied for its catalytic potential.
About Cr1Nb2Ru1
Cr1Nb2Ru1 is a complex intermetallic compound categorized within the platinum-group alloy catalyst class. Characterized by a near-zero-gap electronic structure, it behaves as a semimetal, which influences its potential for facilitating specific chemical transformations at the atomic scale.
As a metastable phase, this material represents a unique structural configuration that requires precise synthesis conditions. Its existence within a broad range of reported structures highlights the versatility of chromium-niobium-ruthenium systems in exploring non-equilibrium material architectures for catalytic applications.
Key Properties
Cross-validated computational properties for Cr1Nb2Ru1, 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 Cr1Nb2Ru1, 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 | 0.0602 | -22.594 | 9.12 |
| Immm (No. 71) | orthorhombic | 0.08 | 4.0552 | -18.599 | 0.77 |
| P4/mmm (No. 123) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
Applications
Where Cr1Nb2Ru1 is used.
Frequently Asked Questions
Common questions about Cr1Nb2Ru1, answered from cross-validated data.
What is Cr1Nb2Ru1?
Cr1Nb2Ru1 is a metastable, semimetallic intermetallic alloy containing chromium, niobium, and ruthenium that is studied for its catalytic potential.
What is Cr1Nb2Ru1 used for?
What is the band gap of Cr1Nb2Ru1?
Is Cr1Nb2Ru1 a metal, semiconductor, or insulator?
Is Cr1Nb2Ru1 thermodynamically stable?
What is the crystal structure of Cr1Nb2Ru1?
What is the density of Cr1Nb2Ru1?
How many polymorphs of Cr1Nb2Ru1 are known?
What elements does Cr1Nb2Ru1 contain?
Where does the data for Cr1Nb2Ru1 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse family of platinum-group alloy catalysts, Cr1Nb2Ru1 occupies a distinct position compared to more conventional binary systems like GeRu or Ga2Ru. While many of its siblings exhibit well-defined stoichiometric stability, Cr1Nb2Ru1 is notable for its metastable nature, offering a different pathway for electronic tuning compared to the more structurally robust members such as As2Ir or P3Ru.
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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