Ge3Ru2
Ge3Ru2 is a stable, semiconducting intermetallic compound composed of germanium and ruthenium that is utilized in advanced catalytic materials research.
About Ge3Ru2
Ge3Ru2 is a distinct semiconducting intermetallic compound within the platinum-group alloy family. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural arrangement of germanium and ruthenium atoms that has garnered significant interest across multiple materials databases. Its electronic character sets it apart from typical metallic alloys, offering unique pathways for charge carrier manipulation in catalytic environments. The compound is primarily studied for its potential in specialized chemical transformations where stable, non-metallic electronic behavior is advantageous. Its presence across numerous reported structures underscores its reliability as a subject for fundamental condensed matter research and its utility in exploring complex metal-metalloid bonding motifs.
Key Properties
Cross-validated computational properties for Ge3Ru2, aggregated across 6 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 Ge3Ru2. 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 Ge3Ru2, 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. |
|---|---|---|---|---|---|
| P-4c2 (No. 116) | tetragonal | 0.41 | 0.0000 | -0.308 | — |
| — | — | 0.40 | 0.0000 | -0.349 | — |
| Pbcn (No. 60) | orthorhombic | 0.38 | 0.0000 | -18.826 | 9.18 |
| — | — | 0.53 | 0.0027 | -0.346 | — |
| P-4c2 (No. 116) | tetragonal | 0.34 | 0.0062 | -18.820 | 9.13 |
| P1 (No. 1) | triclinic | — | — | — | 7.82 |
| P-1 (No. 2) | triclinic | — | — | — | 9.44 |
| P-1 (No. 2) | triclinic | — | — | — | 9.13 |
| C2 (No. 5) | monoclinic | — | — | — | 9.19 |
| C2 (No. 5) | monoclinic | — | — | — | 8.05 |
| Cm (No. 8) | monoclinic | — | — | — | 5.80 |
| C2/m (No. 12) | monoclinic | — | — | — | 8.53 |
Applications
Where Ge3Ru2 is used.
Frequently Asked Questions
Common questions about Ge3Ru2, answered from cross-validated data.
What is Ge3Ru2?
Ge3Ru2 is a stable, semiconducting intermetallic compound composed of germanium and ruthenium that is utilized in advanced catalytic materials research.
What is Ge3Ru2 used for?
What is the band gap of Ge3Ru2?
Is Ge3Ru2 a metal, semiconductor, or insulator?
Is Ge3Ru2 thermodynamically stable?
What is the crystal structure of Ge3Ru2?
What is the density of Ge3Ru2?
How many polymorphs of Ge3Ru2 are known?
What elements does Ge3Ru2 contain?
Where does the data for Ge3Ru2 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the broader class of platinum-group alloys, Ge3Ru2 occupies a niche defined by its semiconducting nature, distinguishing it from more conventional metallic siblings like LaRh or BaPd. While compounds such as GeRu represent simpler stoichiometric ratios within the same binary system, Ge3Ru2 offers a more complex structural framework that provides researchers with a broader range of tunable electronic properties for catalytic applications.
Related Compounds
Other Platinum-Group Alloy Catalysts in the database.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- aflow — Data from AFLOW (aflow.org). Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012). (CC-BY-4.0)
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