Ag1Cu1Li2
Ag1Cu1Li2 is a semiconducting intermetallic compound composed of silver, copper, and lithium that exhibits complex structural diversity.
About Ag1Cu1Li2
Ag1Cu1Li2 is a complex intermetallic compound composed of silver, copper, and lithium. As a semiconducting material, it represents a unique intersection of noble metals and alkali chemistry, offering an intriguing subject for electronic property investigations.
Despite its existence in multiple structural configurations within computational databases, the compound is characterized as being above the thermodynamic hull. This suggests that while it can be modeled, it likely faces significant challenges regarding long-term phase stability under standard ambient conditions.
Key Properties
Cross-validated computational properties for Ag1Cu1Li2, 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 Ag1Cu1Li2, 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 | 1.83 | 1.1185 | -8.237 | 0.41 |
| Pmmm (No. 47) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
Applications
Where Ag1Cu1Li2 is used.
Frequently Asked Questions
Common questions about Ag1Cu1Li2, answered from cross-validated data.
What is Ag1Cu1Li2?
Ag1Cu1Li2 is a semiconducting intermetallic compound composed of silver, copper, and lithium that exhibits complex structural diversity.
What is Ag1Cu1Li2 used for?
What is the band gap of Ag1Cu1Li2?
Is Ag1Cu1Li2 a metal, semiconductor, or insulator?
Is Ag1Cu1Li2 thermodynamically stable?
What is the crystal structure of Ag1Cu1Li2?
What is the density of Ag1Cu1Li2?
How many polymorphs of Ag1Cu1Li2 are known?
What elements does Ag1Cu1Li2 contain?
Where does the data for Ag1Cu1Li2 come from?
How It Compares
As a specialized ternary intermetallic, Ag1Cu1Li2 occupies a niche position in materials science where the combination of silver, copper, and lithium creates a distinct electronic environment. Without direct structural siblings, it serves as a primary example of the complex phase space found in multi-element lithium-based alloys.
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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