K16Sn36

K16Sn36 is a thermodynamically stable semiconducting intermetallic compound formed from potassium and tin.

KSn
Crystal structure of K16Sn36 (monoclinic, P21/c (No. 14))
Ground-state structure · Materials Project
Overview

About K16Sn36

K16Sn36 is a distinct intermetallic compound composed of potassium and tin. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement within its chemical system. Its electronic character is defined as semiconducting, making it an intriguing candidate for specialized electronic and solid-state applications. The material exhibits structural diversity, with multiple reported configurations that highlight its complex bonding environment. Its stability and semiconducting nature suggest potential utility in thermoelectric or optoelectronic research where precise electronic control is required. As a well-defined phase, it serves as a key reference point for understanding the interplay between alkali metals and group fourteen elements in solid-state chemistry.

At a glance

Key Properties

Cross-validated computational properties for K16Sn36, aggregated across 3 databases.

Band Gap

1.25 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
1 DFT source

Structures

4
3 databases, 2 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for K16Sn36, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P21/c (No. 14)monoclinic1.250.0000-3.3403.99
P21/c (No. 14)
No. 0unknown1.04
P21/c (No. 14)
Uses

Applications

Where K16Sn36 is used.

Solid-state researchThermoelectric material developmentSemiconductor physics studies
Reference

Frequently Asked Questions

Common questions about K16Sn36, answered from cross-validated data.

What is K16Sn36?

K16Sn36 is a thermodynamically stable semiconducting intermetallic compound formed from potassium and tin.

More questions
What is K16Sn36 used for?
K16Sn36 is used in solid-state research, thermoelectric material development, and semiconductor physics studies.
What is the band gap of K16Sn36?
K16Sn36 has a DFT-computed band gap of 1.25 eV across 4 reported structures.
Is K16Sn36 a metal, semiconductor, or insulator?
With a band gap up to 1.25 eV it is a semiconductor.
Is K16Sn36 thermodynamically stable?
Yes — K16Sn36 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of K16Sn36?
The lowest-energy reported polymorph of K16Sn36 is monoclinic symmetry, space group P21/c (No. 14).
What is the density of K16Sn36?
The computed density of the ground-state structure of K16Sn36 is 3.99 g/cm³.
How many polymorphs of K16Sn36 are known?
4 structures of K16Sn36 are reported across 3 databases, spanning 2 distinct space groups.
What elements does K16Sn36 contain?
K16Sn36 contains K and Sn (2 elements).
Where does the data for K16Sn36 come from?
K16Sn36 data is cross-referenced from materials_project, aflow, cod.
Comparison

How It Compares

As a unique intermetallic phase, K16Sn36 stands out for its thermodynamic stability and specific semiconducting behavior. While it does not belong to a broad, well-defined class of materials in this context, it serves as a critical example of how potassium-tin stoichiometry can be tuned to achieve stable, semiconducting electronic properties in complex crystalline frameworks.

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).
  • cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).

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