Li2NaTl
Li2NaTl is a semiconducting ternary compound containing lithium, sodium, and thallium that is currently being investigated for its structural properties.
About Li2NaTl
Li2NaTl is a ternary compound composed of lithium, sodium, and thallium. As a semiconducting material, it represents a unique combination of alkali metals and a heavy post-transition metal, offering an intriguing electronic profile for fundamental materials studies.
While the compound is currently identified as being above the thermodynamic hull, it remains a subject of interest in structural databases. Its existence across multiple reported configurations highlights the complexity of its phase space and the ongoing efforts to understand its stability and potential synthesis pathways.
Key Properties
Cross-validated computational properties for Li2NaTl, 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 Li2NaTl, 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 | 0.20 | 1.0793 | -14.518 | 0.33 |
| — | — | — | — | — | 4.60 |
| — | — | — | — | — | — |
| — | — | — | — | — | 4.60 |
| — | — | — | — | — | 4.60 |
| Pmm2 (No. 25) | — | — | — | — | — |
Applications
Where Li2NaTl is used.
Frequently Asked Questions
Common questions about Li2NaTl, answered from cross-validated data.
What is Li2NaTl?
Li2NaTl is a semiconducting ternary compound containing lithium, sodium, and thallium that is currently being investigated for its structural properties.
What is Li2NaTl used for?
What is the band gap of Li2NaTl?
Is Li2NaTl a metal, semiconductor, or insulator?
Is Li2NaTl thermodynamically stable?
What is the crystal structure of Li2NaTl?
What is the density of Li2NaTl?
How many polymorphs of Li2NaTl are known?
What elements does Li2NaTl contain?
Where does the data for Li2NaTl come from?
How It Compares
As a distinct ternary phase, Li2NaTl occupies a specialized niche in materials science research. Without direct structural siblings in this specific class, it serves as a critical data point for exploring the interplay between highly reactive alkali metals and heavy elements in complex lattice arrangements.
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).
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