AuCu2Li
This compound is a ternary intermetallic phase composed of gold, copper, and lithium. It is primarily studied in materials science research for its specific crystal structure and electronic properties within the context of metal alloy systems.
Key Properties
Cross-validated computational properties for AuCu2Li, aggregated across 3 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 AuCu2Li, 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 | 0.56 | 1.7022 | -1.914 | 0.78 |
| — | — | — | — | — | 9.82 |
| — | — | — | — | — | 10.07 |
| — | — | — | — | — | — |
| — | — | — | — | — | 9.93 |
| — | — | — | — | — | — |
| — | — | — | — | — | 9.89 |
| — | — | — | — | — | 10.06 |
| — | — | — | — | — | 9.93 |
Applications
Where AuCu2Li is used.
Frequently Asked Questions
Common questions about AuCu2Li, answered from cross-validated data.
What is AuCu2Li?
This compound is a ternary intermetallic phase composed of gold, copper, and lithium. It is primarily studied in materials science research for its specific crystal structure and electronic properties within the context of metal alloy systems.
What is AuCu2Li used for?
What is the band gap of AuCu2Li?
Is AuCu2Li a metal, semiconductor, or insulator?
Is AuCu2Li thermodynamically stable?
What is the crystal structure of AuCu2Li?
What is the density of AuCu2Li?
How many polymorphs of AuCu2Li are known?
What elements does AuCu2Li contain?
Where does the data for AuCu2Li come from?
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.
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