Li1Na1Tl2
Li1Na1Tl2 is a semimetallic ternary intermetallic compound composed of lithium, sodium, and thallium that exists in a metastable state.
About Li1Na1Tl2
Li1Na1Tl2 is a complex ternary intermetallic compound composed of lithium, sodium, and thallium. Its electronic structure is characterized as a near-zero-gap semimetal, placing it in a unique regime where traditional distinctions between metallic and semiconducting behavior are blurred.
This compound exhibits a high degree of structural diversity, as evidenced by the numerous reported configurations found in crystallographic databases. Because it resides above the thermodynamic hull, it is considered a metastable phase, which makes it a subject of interest for researchers investigating the formation of complex intermetallic alloys.
Key Properties
Cross-validated computational properties for Li1Na1Tl2, 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 Li1Na1Tl2, 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 | 0.05 | 1.0816 | -27.207 | 0.47 |
| R-3m (No. 166) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Li1Na1Tl2, answered from cross-validated data.
What is Li1Na1Tl2?
Li1Na1Tl2 is a semimetallic ternary intermetallic compound composed of lithium, sodium, and thallium that exists in a metastable state.
What is the band gap of Li1Na1Tl2?
Is Li1Na1Tl2 a metal, semiconductor, or insulator?
Is Li1Na1Tl2 thermodynamically stable?
What is the crystal structure of Li1Na1Tl2?
What is the density of Li1Na1Tl2?
How many polymorphs of Li1Na1Tl2 are known?
What elements does Li1Na1Tl2 contain?
Where does the data for Li1Na1Tl2 come from?
How It Compares
As a ternary intermetallic phase, Li1Na1Tl2 represents a specialized case within the broader landscape of alkali-thallium systems. Without direct structural siblings in this specific class, it serves as a distinct example of how combining light alkali metals with heavy post-transition metals can yield complex, metastable electronic environments.
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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