Ag2Li1Tl1
Ag2Li1Tl1 is a semiconducting ternary intermetallic compound composed of silver, lithium, and thallium.
About Ag2Li1Tl1
Ag2Li1Tl1 is a ternary intermetallic compound composed of silver, lithium, and thallium. It exhibits semiconducting electronic properties, distinguishing it from purely metallic alloys within similar chemical spaces.
Due to its position above the thermodynamic hull, this compound is considered metastable. Its existence is supported by a significant number of reported structural variations, making it a subject of interest for researchers studying complex phase formation in multi-element systems.
Key Properties
Cross-validated computational properties for Ag2Li1Tl1, 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 Ag2Li1Tl1, 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 | 0.92 | 1.0580 | -23.640 | 0.62 |
| Imm2 (No. 44) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Pmm2 (No. 25) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Ag2Li1Tl1, answered from cross-validated data.
What is Ag2Li1Tl1?
Ag2Li1Tl1 is a semiconducting ternary intermetallic compound composed of silver, lithium, and thallium.
What is the band gap of Ag2Li1Tl1?
Is Ag2Li1Tl1 a metal, semiconductor, or insulator?
Is Ag2Li1Tl1 thermodynamically stable?
What is the crystal structure of Ag2Li1Tl1?
What is the density of Ag2Li1Tl1?
How many polymorphs of Ag2Li1Tl1 are known?
What elements does Ag2Li1Tl1 contain?
Where does the data for Ag2Li1Tl1 come from?
How It Compares
As a unique ternary phase, Ag2Li1Tl1 serves as a distinct example of how combining noble metals with alkali and post-transition metals can yield semiconducting behavior, providing a baseline for exploring stability trends in similar complex intermetallic systems.
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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