GeRu
GeRu is a semiconducting intermetallic alloy composed of germanium and ruthenium that is recognized as a promising, synthesizable candidate for catalytic research.
About GeRu
GeRu is a semiconducting intermetallic compound belonging to the platinum-group alloy catalyst class. Its electronic properties distinguish it from typical metallic alloys, positioning it as a specialized candidate for catalytic applications where electronic tuning is essential for surface reactivity.
As a near-hull material, GeRu is considered likely to be synthesizable, supported by a significant body of structural data across multiple databases. This stability makes it an intriguing subject for researchers investigating the intersection of precious metal chemistry and semiconductor physics.
Key Properties
Cross-validated computational properties for GeRu, aggregated across 4 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of GeRu. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for GeRu, 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. |
|---|---|---|---|---|---|
| P213 (No. 198) | cubic | 0.13 | 0.0066 | -19.920 | 10.07 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.20 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 8.49 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 10.29 |
| Amm2 (No. 38) | Orthorhombic | — | — | — | 10.46 |
| P4/nmm (No. 129) | Tetragonal | — | — | — | 5.59 |
| Cmme (No. 67) | Orthorhombic | — | — | — | 5.12 |
| P4/nmm (No. 129) | Tetragonal | — | — | — | 5.38 |
| P-3m1 (No. 164) | Trigonal | — | — | — | 7.37 |
| Amm2 (No. 38) | Orthorhombic | — | — | — | 8.25 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 9.00 |
| P-1 (No. 2) | Triclinic | — | — | — | 6.52 |
Applications
Where GeRu is used.
Frequently Asked Questions
Common questions about GeRu, answered from cross-validated data.
What is GeRu?
GeRu is a semiconducting intermetallic alloy composed of germanium and ruthenium that is recognized as a promising, synthesizable candidate for catalytic research.
What is GeRu used for?
What is the band gap of GeRu?
Is GeRu a metal, semiconductor, or insulator?
Is GeRu thermodynamically stable?
What is the crystal structure of GeRu?
What is the density of GeRu?
How many polymorphs of GeRu are known?
What elements does GeRu contain?
Where does the data for GeRu come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse group of platinum-group alloys, GeRu stands out for its semiconducting nature, contrasting with the more metallic behavior typically observed in siblings like BaPd or LaRh. While many members of this class are explored for their robust metallic conductivity, GeRu offers a unique electronic profile that may provide distinct advantages in selective catalytic processes compared to more common metallic 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.
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