K6Na2Se16Sn6
K6Na2Se16Sn6 is a stable, semiconducting quaternary chalcogenide material composed of potassium, sodium, selenium, and tin.
About K6Na2Se16Sn6
K6Na2Se16Sn6 is a complex quaternary chalcogenide that exhibits semiconducting electronic behavior. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement of potassium, sodium, selenium, and tin atoms.
This material is of significant interest in the study of advanced semiconductor systems. Its stable configuration and electronic properties make it a subject of investigation for researchers aiming to understand how multi-element frameworks influence charge transport and light interaction in solid-state devices.
Key Properties
Cross-validated computational properties for K6Na2Se16Sn6, 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 K6Na2Se16Sn6, 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. |
|---|---|---|---|---|---|
| P4/nbm (No. 125) | tetragonal | 1.68 | 0.0000 | -4.002 | 3.88 |
| — | — | — | — | — | 2.75 |
| P4/nbm (No. 125) | — | — | — | — | — |
| — | — | — | — | — | 3.87 |
Applications
Where K6Na2Se16Sn6 is used.
Frequently Asked Questions
Common questions about K6Na2Se16Sn6, answered from cross-validated data.
What is K6Na2Se16Sn6?
K6Na2Se16Sn6 is a stable, semiconducting quaternary chalcogenide material composed of potassium, sodium, selenium, and tin.
What is K6Na2Se16Sn6 used for?
What is the band gap of K6Na2Se16Sn6?
Is K6Na2Se16Sn6 a metal, semiconductor, or insulator?
Is K6Na2Se16Sn6 thermodynamically stable?
What is the crystal structure of K6Na2Se16Sn6?
What is the density of K6Na2Se16Sn6?
How many polymorphs of K6Na2Se16Sn6 are known?
What elements does K6Na2Se16Sn6 contain?
Where does the data for K6Na2Se16Sn6 come from?
How It Compares
Within the halide perovskite photovoltaics class.
Within the broader landscape of halide perovskites and related complex halides, K6Na2Se16Sn6 stands out as a unique chalcogenide-based alternative to traditional lead-halide systems like CsPbBr3 or CsSnI3. While many members of this class focus on simple halide coordination, this compound utilizes a more intricate selenium-tin framework, offering a distinct structural pathway for exploring semiconductor physics compared to the more conventional perovskite-structured siblings.
Related Compounds
Other Halide Perovskite Photovoltaics in the database.
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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