Ga4K12Te12

Ga4K12Te12 is a thermodynamically stable semiconducting compound containing gallium, potassium, and tellurium.

GaKTe
Crystal structure of Ga4K12Te12 (monoclinic, P21/c (No. 14))
Ground-state structure · Materials Project
Overview

About Ga4K12Te12

Ga4K12Te12 is a complex ternary chalcogenide that exists as a thermodynamically stable phase on the convex hull. Its electronic structure characterizes it as a semiconductor, making it a subject of interest for fundamental solid-state physics and materials design.

This compound represents a specific stoichiometry within the gallium-potassium-tellurium system. Its structural stability suggests potential for integration into specialized electronic or optoelectronic applications where precise control over semiconducting properties is required.

At a glance

Key Properties

Cross-validated computational properties for Ga4K12Te12, aggregated across 3 databases.

Band Gap

1.66 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

3
3 databases, 1 space group
Crystallography

Reported Structures

Lowest-energy structures reported for Ga4K12Te12, 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)monoclinic1.660.0000-3.3133.54
2.71
P21/c (No. 14)
Uses

Applications

Where Ga4K12Te12 is used.

Materials science researchSolid-state electronic development
Reference

Frequently Asked Questions

Common questions about Ga4K12Te12, answered from cross-validated data.

What is Ga4K12Te12?

Ga4K12Te12 is a thermodynamically stable semiconducting compound containing gallium, potassium, and tellurium.

More questions
What is Ga4K12Te12 used for?
Ga4K12Te12 is used in materials science research and solid-state electronic development.
What is the band gap of Ga4K12Te12?
Ga4K12Te12 has a DFT-computed band gap of 1.66 eV across 3 reported structures.
Is Ga4K12Te12 a metal, semiconductor, or insulator?
With a band gap up to 1.66 eV it is a semiconductor.
Is Ga4K12Te12 thermodynamically stable?
Yes — Ga4K12Te12 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Ga4K12Te12?
The lowest-energy reported polymorph of Ga4K12Te12 is monoclinic symmetry, space group P21/c (No. 14).
What is the density of Ga4K12Te12?
The computed density of the ground-state structure of Ga4K12Te12 is 3.54 g/cm³.
How many polymorphs of Ga4K12Te12 are known?
3 structures of Ga4K12Te12 are reported across 3 databases, spanning 1 distinct space group.
What elements does Ga4K12Te12 contain?
Ga4K12Te12 contains Ga, K, and Te (3 elements).
Where does the data for Ga4K12Te12 come from?
Ga4K12Te12 data is cross-referenced from materials_project, omat24, aflow.
Comparison

How It Compares

As a unique ternary phase, Ga4K12Te12 serves as a distinct example of how alkali metals can stabilize gallium-telluride frameworks. Unlike more common binary semiconductors, this compound occupies a specific structural niche that highlights the diversity of ternary chalcogenide chemistry.

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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