K1Na2Tl1
K1Na2Tl1 is a semiconducting ternary compound consisting of potassium, sodium, and thallium that exhibits significant structural complexity.
About K1Na2Tl1
K1Na2Tl1 is a complex ternary compound composed of potassium, sodium, and thallium. It exhibits semiconducting electronic behavior, positioning it as an interesting subject for fundamental research into the electronic properties of alkali-thallide systems.
Despite its structural diversity, with numerous reported configurations, the compound is identified as being thermodynamically unstable relative to its constituent elements. This suggests that while it can exist in various structural forms, it remains a challenging material to synthesize and maintain in stable phases.
Key Properties
Cross-validated computational properties for K1Na2Tl1, 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 K1Na2Tl1, 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 | 0.47 | 0.7539 | -0.866 | 0.24 |
| P4/mmm (No. 123) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
Frequently Asked Questions
Common questions about K1Na2Tl1, answered from cross-validated data.
What is K1Na2Tl1?
K1Na2Tl1 is a semiconducting ternary compound consisting of potassium, sodium, and thallium that exhibits significant structural complexity.
What is the band gap of K1Na2Tl1?
Is K1Na2Tl1 a metal, semiconductor, or insulator?
Is K1Na2Tl1 thermodynamically stable?
What is the crystal structure of K1Na2Tl1?
What is the density of K1Na2Tl1?
How many polymorphs of K1Na2Tl1 are known?
What elements does K1Na2Tl1 contain?
Where does the data for K1Na2Tl1 come from?
How It Compares
As a unique ternary phase, K1Na2Tl1 represents a specialized case within the broader landscape of alkali-thallide materials, where the interplay between the distinct ionic radii of potassium and sodium with thallium creates a highly complex structural environment.
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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