AlKSi2

AlKSi2 is a metastable semimetallic ternary compound consisting of aluminum, potassium, and silicon.

AlKSi
Crystal structure of AlKSi2
Ground-state structure · Materials Project
Overview

About AlKSi2

AlKSi2 is a ternary inorganic compound composed of aluminum, potassium, and silicon. It exhibits a near-zero-gap electronic character, placing it in the category of semimetallic materials that bridge the gap between metallic and semiconducting behavior.

As a metastable phase, this compound is of significant interest in solid-state chemistry and materials research. Its existence across multiple reported structures suggests a complex energy landscape, making it a subject of ongoing investigation for its structural diversity and potential electronic applications.

At a glance

Key Properties

Cross-validated computational properties for AlKSi2, aggregated across 3 databases.

Band Gap

0.02 eV
Range across DFT structures

Energy Above Hull

0.071 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

4
3 databases, 1 space group
Reference

Frequently Asked Questions

Common questions about AlKSi2, answered from cross-validated data.

What is AlKSi2?

AlKSi2 is a metastable semimetallic ternary compound consisting of aluminum, potassium, and silicon.

More questions
What is the band gap of AlKSi2?
AlKSi2 has a DFT-computed band gap of 0.02 eV across 4 reported structures.
Is AlKSi2 a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is AlKSi2 thermodynamically stable?
AlKSi2 has a lowest energy above hull of 0.071 eV/atom (metastable).
How many polymorphs of AlKSi2 are known?
4 structures of AlKSi2 are reported across 3 databases, spanning 1 distinct space group.
What elements does AlKSi2 contain?
AlKSi2 contains Al, K, and Si (3 elements).
Where does the data for AlKSi2 come from?
AlKSi2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As an unclassified ternary phase, AlKSi2 serves as a distinct example of how alkali metals can be integrated into aluminum-silicon frameworks to tune electronic density near the Fermi level, representing a unique point in the phase space of these elements.

Data sources & attribution
  • latticegraph — Lattice Graph Materials Intelligence Platform

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