GeIr
GeIr is a stable, metallic intermetallic compound formed from germanium and iridium that is primarily studied for its catalytic potential.
About GeIr
GeIr is a metallic intermetallic compound composed of germanium and iridium. As a member of the platinum-group alloy catalyst family, it is characterized by its thermodynamic stability, sitting directly on the convex hull, which suggests a robust structural configuration that is favorable for synthesis and long-term performance in demanding chemical environments.
This compound is of significant interest in materials science due to its metallic nature and the high degree of structural data available across multiple databases. Its stability makes it a compelling candidate for fundamental studies into catalytic surface science and the development of specialized metallic alloys for industrial applications.
Key Properties
Cross-validated computational properties for GeIr, 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 GeIr. 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 GeIr, 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 | -33.478 | 14.03 |
| C2 (No. 5) | Monoclinic | — | — | — | 13.94 |
| P1 (No. 1) | Triclinic | — | — | — | 14.34 |
| P1 (No. 1) | Triclinic | — | — | — | 7.75 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 14.05 |
| P1 (No. 1) | Triclinic | — | — | — | 10.99 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 13.69 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 14.85 |
| P1 (No. 1) | Triclinic | — | — | — | 11.12 |
| Cm (No. 8) | Monoclinic | — | — | — | 8.01 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 11.17 |
| C2 (No. 5) | Monoclinic | — | — | — | 16.54 |
Applications
Where GeIr is used.
Frequently Asked Questions
Common questions about GeIr, answered from cross-validated data.
What is GeIr?
GeIr is a stable, metallic intermetallic compound formed from germanium and iridium that is primarily studied for its catalytic potential.
What is GeIr used for?
What is the band gap of GeIr?
Is GeIr a metal, semiconductor, or insulator?
Is GeIr thermodynamically stable?
What is the crystal structure of GeIr?
What is the density of GeIr?
How many polymorphs of GeIr are known?
What elements does GeIr contain?
Where does the data for GeIr come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse group of platinum-group alloys, GeIr stands out for its verified thermodynamic stability compared to more complex or less stable siblings like As2Ir or Ga2Ru. While many members of this class are explored for their specific electronic tuning, GeIr offers a particularly well-documented structural profile that serves as a benchmark for understanding iridium-based binary systems.
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).
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