AuCuLi2
AuCuLi2 is a semiconducting ternary intermetallic compound consisting of gold, copper, and lithium.
About AuCuLi2
AuCuLi2 is a ternary intermetallic compound composed of gold, copper, and lithium. As a semiconducting material, it represents a unique intersection of noble metals and alkali chemistry, drawing interest for its distinct electronic behavior within the solid state. Given its position above the thermodynamic hull, this compound is considered metastable. It serves as a subject of fundamental research into how specific atomic arrangements influence electronic properties in multi-component metal systems.
Key Properties
Cross-validated computational properties for AuCuLi2, 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.
Reported Structures
Lowest-energy structures reported for AuCuLi2, 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. |
|---|---|---|---|---|---|
| Immm (No. 71) | orthorhombic | 2.10 | 1.1114 | -2.026 | 0.63 |
| — | — | — | — | — | 6.95 |
| — | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
Frequently Asked Questions
Common questions about AuCuLi2, answered from cross-validated data.
What is AuCuLi2?
AuCuLi2 is a semiconducting ternary intermetallic compound consisting of gold, copper, and lithium.
What is the band gap of AuCuLi2?
Is AuCuLi2 a metal, semiconductor, or insulator?
Is AuCuLi2 thermodynamically stable?
What is the crystal structure of AuCuLi2?
What is the density of AuCuLi2?
How many polymorphs of AuCuLi2 are known?
What elements does AuCuLi2 contain?
Where does the data for AuCuLi2 come from?
How It Compares
As a unique ternary phase, AuCuLi2 occupies a specialized niche in materials science where the combination of heavy noble metals and light alkali elements creates complex structural landscapes. Unlike more common binary alloys, this compound demonstrates the challenges of stabilizing specific stoichiometry in systems where thermodynamic competition is high.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- alexandria — Data from alexandria.
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
Analyze AuCuLi2 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →