Na1Sn1Tl2
Na1Sn1Tl2 is a metastable, semimetallic ternary intermetallic compound composed of sodium, tin, and thallium.
About Na1Sn1Tl2
Na1Sn1Tl2 is a complex ternary intermetallic compound characterized by its near-zero-gap electronic structure. As a semimetallic material, it exhibits unique charge transport properties that make it an intriguing subject for fundamental condensed matter studies.
Because it exists in a metastable state, Na1Sn1Tl2 requires careful synthesis and handling to maintain its structural integrity. Its existence across multiple reported structural configurations highlights the structural diversity inherent in sodium-tin-thallium systems.
Key Properties
Cross-validated computational properties for Na1Sn1Tl2, 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 Na1Sn1Tl2, 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. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 0.00 | 0.0322 | -33.768 | 7.74 |
| Immm (No. 71) | orthorhombic | 0.07 | 0.9699 | -32.830 | 0.64 |
| Pmm2 (No. 25) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
Applications
Where Na1Sn1Tl2 is used.
Frequently Asked Questions
Common questions about Na1Sn1Tl2, answered from cross-validated data.
What is Na1Sn1Tl2?
Na1Sn1Tl2 is a metastable, semimetallic ternary intermetallic compound composed of sodium, tin, and thallium.
What is Na1Sn1Tl2 used for?
What is the band gap of Na1Sn1Tl2?
Is Na1Sn1Tl2 a metal, semiconductor, or insulator?
Is Na1Sn1Tl2 thermodynamically stable?
What is the crystal structure of Na1Sn1Tl2?
What is the density of Na1Sn1Tl2?
How many polymorphs of Na1Sn1Tl2 are known?
What elements does Na1Sn1Tl2 contain?
Where does the data for Na1Sn1Tl2 come from?
How It Compares
As a unique ternary phase, Na1Sn1Tl2 represents a distinct point in the chemical space of alkali-metal-based intermetallics. Without direct structural siblings in this specific class, it serves as a critical reference point for understanding how the integration of sodium, tin, and thallium influences electronic behavior and phase stability.
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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