GeRh2
GeRh2 is a stable, metallic intermetallic compound used in the study and development of advanced platinum-group alloy catalysts.
About GeRh2
GeRh2 is a robust intermetallic compound belonging to the class of platinum-group alloy catalysts. Characterized by its metallic electronic nature, this material sits firmly on the convex hull, indicating high thermodynamic stability under standard conditions. Its structural integrity is well-documented, supported by a significant volume of reported experimental and theoretical structures.
As a member of this catalytic family, GeRh2 is valued for its potential in specialized chemical transformations where surface reactivity and electronic conductivity are paramount. Its stability makes it a reliable candidate for research into durable catalytic surfaces that can withstand harsh processing environments.
Key Properties
Cross-validated computational properties for GeRh2, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of GeRh2. 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 GeRh2, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 0.00 | 0.0000 | -21.185 | 11.05 |
| Pnma (No. 62) | orthorhombic | 0.00 | 0.0000 | -0.424 | — |
| — | — | 0.00 | 0.0000 | -0.473 | — |
| — | — | 0.00 | 0.0905 | -0.383 | — |
| — | — | 0.00 | 0.0948 | -0.378 | — |
| — | — | 0.00 | 0.1290 | -0.344 | — |
| — | — | 0.00 | 0.6879 | 0.215 | — |
| — | — | 0.00 | 2.2969 | 1.824 | — |
| Cm (No. 8) | monoclinic | — | — | — | 6.59 |
| P2/m (No. 10) | monoclinic | — | — | — | 10.12 |
| C2 (No. 5) | monoclinic | — | — | — | 5.92 |
| C2 (No. 5) | monoclinic | — | — | — | 7.96 |
Applications
Where GeRh2 is used.
Frequently Asked Questions
Common questions about GeRh2, answered from cross-validated data.
What is GeRh2?
GeRh2 is a stable, metallic intermetallic compound used in the study and development of advanced platinum-group alloy catalysts.
What is GeRh2 used for?
What is the band gap of GeRh2?
Is GeRh2 a metal, semiconductor, or insulator?
Is GeRh2 thermodynamically stable?
What is the crystal structure of GeRh2?
What is the density of GeRh2?
How many polymorphs of GeRh2 are known?
What elements does GeRh2 contain?
Where does the data for GeRh2 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse landscape of platinum-group alloys, GeRh2 distinguishes itself through its specific stoichiometry and high thermodynamic stability compared to more complex or less stable siblings like As2Pt or BaPd. While compounds such as GeRu share similar group-14 constituents, GeRh2 leverages the unique electronic configuration of rhodium to offer a distinct catalytic profile that complements the broader range of transition metal-based intermetallics.
Related Compounds
Other Platinum-Group Alloy Catalysts in the database.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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