K6Si2Te6
K6Si2Te6 is a stable, semiconducting ternary compound composed of potassium, silicon, and tellurium.
About K6Si2Te6
K6Si2Te6 is a complex ternary chalcogenide that exists as a thermodynamically stable phase on the convex hull. Its electronic character identifies it as a semiconductor, making it a subject of interest for fundamental studies in solid-state chemistry and materials design.
Given its status as a stable compound with multiple reported structural variations, it serves as a valuable model for understanding the bonding and electronic behavior of alkali metal silicon tellurides. Its unique composition allows researchers to investigate the interplay between heavy chalcogenide frameworks and reactive alkali cations.
Key Properties
Cross-validated computational properties for K6Si2Te6, aggregated across 3 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 K6Si2Te6, 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. |
|---|---|---|---|---|---|
| C2/m (No. 12) | monoclinic | 1.72 | 0.0000 | -15.710 | 3.32 |
| — | — | — | — | — | 3.25 |
| C2/m (No. 12) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
Frequently Asked Questions
Common questions about K6Si2Te6, answered from cross-validated data.
What is K6Si2Te6?
K6Si2Te6 is a stable, semiconducting ternary compound composed of potassium, silicon, and tellurium.
What is the band gap of K6Si2Te6?
Is K6Si2Te6 a metal, semiconductor, or insulator?
Is K6Si2Te6 thermodynamically stable?
What is the crystal structure of K6Si2Te6?
What is the density of K6Si2Te6?
How many polymorphs of K6Si2Te6 are known?
What elements does K6Si2Te6 contain?
Where does the data for K6Si2Te6 come from?
How It Compares
As a distinct ternary compound, K6Si2Te6 occupies a specialized niche within the broader landscape of alkali silicon tellurides, where it is recognized for its thermodynamic stability and defined semiconducting behavior.
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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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