Ge2Ir1Li1
Ge2Ir1Li1 is a semimetallic, thermodynamically stable ternary alloy composed of germanium, iridium, and lithium used in catalytic research.
About Ge2Ir1Li1
Ge2Ir1Li1 is a ternary intermetallic compound classified within the platinum-group alloy catalyst family. Characterized by a near-zero-gap electronic structure, it functions as a semimetal, offering unique charge carrier dynamics relevant to advanced catalytic processes.
As a near-hull phase, the material is considered thermodynamically stable and likely synthesizable under standard laboratory conditions. Its composition, integrating germanium, iridium, and lithium, positions it as a candidate for specialized chemical transformations where precious metal activity is modulated by main-group elements.
Key Properties
Cross-validated computational properties for Ge2Ir1Li1, 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 Ge2Ir1Li1, 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 | 0.0137 | -5.316 | 10.13 |
| Immm (No. 71) | orthorhombic | 0.05 | 2.1891 | -3.141 | 0.78 |
| Immm (No. 71) | — | — | — | — | — |
| Cmm2 (No. 35) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
Applications
Where Ge2Ir1Li1 is used.
Frequently Asked Questions
Common questions about Ge2Ir1Li1, answered from cross-validated data.
What is Ge2Ir1Li1?
Ge2Ir1Li1 is a semimetallic, thermodynamically stable ternary alloy composed of germanium, iridium, and lithium used in catalytic research.
What is Ge2Ir1Li1 used for?
What is the band gap of Ge2Ir1Li1?
Is Ge2Ir1Li1 a metal, semiconductor, or insulator?
Is Ge2Ir1Li1 thermodynamically stable?
What is the crystal structure of Ge2Ir1Li1?
What is the density of Ge2Ir1Li1?
How many polymorphs of Ge2Ir1Li1 are known?
What elements does Ge2Ir1Li1 contain?
Where does the data for Ge2Ir1Li1 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse landscape of platinum-group alloys, Ge2Ir1Li1 occupies a niche role compared to more traditional binary systems like GeRu or As2Ir. While siblings such as As2Pt or BaPd often exhibit distinct structural motifs, Ge2Ir1Li1 leverages the specific electronic influence of lithium to tune the catalytic surface properties, distinguishing it from the more conventional transition metal-metalloid combinations found in the rest of the class.
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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