Ga6In6Se18

Ga6In6Se18 is a stable, semiconducting gallium-indium-selenide compound utilized in advanced materials research.

GaInSe
Crystal structure of Ga6In6Se18 (hexagonal, P61 (No. 169))
Ground-state structure · Materials Project
Overview

About Ga6In6Se18

Ga6In6Se18 is a complex ternary chalcogenide that exhibits semiconducting behavior. As a thermodynamically stable phase located on the convex hull, it represents a robust crystalline arrangement within the gallium-indium-selenium system. Its electronic properties make it an intriguing candidate for specialized semiconductor applications where precise control over charge carrier behavior is required. The material is characterized by a well-defined structural framework that maintains stability under standard conditions, providing a reliable platform for further investigation into its optoelectronic potential. Researchers study this compound to better understand the interplay between its metallic components and the chalcogenide lattice, which dictates its overall performance in solid-state devices.

At a glance

Key Properties

Cross-validated computational properties for Ga6In6Se18, aggregated across 3 databases.

Band Gap

1.32 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 Ga6In6Se18, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P61 (No. 169)hexagonal1.320.0000-16.0975.12
P65 (No. 170)hexagonal0.88
P61 (No. 169)
P61 (No. 169)
Uses

Applications

Where Ga6In6Se18 is used.

Semiconductor researchOptoelectronic device developmentSolid-state material studies
Reference

Frequently Asked Questions

Common questions about Ga6In6Se18, answered from cross-validated data.

What is Ga6In6Se18?

Ga6In6Se18 is a stable, semiconducting gallium-indium-selenide compound utilized in advanced materials research.

More questions
What is Ga6In6Se18 used for?
Ga6In6Se18 is used in semiconductor research, optoelectronic device development, and solid-state material studies.
What is the band gap of Ga6In6Se18?
Ga6In6Se18 has a DFT-computed band gap of 1.32 eV across 4 reported structures.
Is Ga6In6Se18 a metal, semiconductor, or insulator?
With a band gap up to 1.32 eV it is a semiconductor.
Is Ga6In6Se18 thermodynamically stable?
Yes — Ga6In6Se18 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Ga6In6Se18?
The lowest-energy reported polymorph of Ga6In6Se18 is hexagonal symmetry, space group P61 (No. 169).
What is the density of Ga6In6Se18?
The computed density of the ground-state structure of Ga6In6Se18 is 5.12 g/cm³.
How many polymorphs of Ga6In6Se18 are known?
4 structures of Ga6In6Se18 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Ga6In6Se18 contain?
Ga6In6Se18 contains Ga, In, and Se (3 elements).
Where does the data for Ga6In6Se18 come from?
Ga6In6Se18 data is cross-referenced from materials_project, cod, aflow.
Comparison

How It Compares

As a distinct ternary phase, Ga6In6Se18 occupies a unique position in the landscape of gallium-indium-selenides. Unlike simpler binary chalcogenides, this compound leverages the synergistic effects of both gallium and indium to tune its electronic properties, serving as a sophisticated example of how multi-metal coordination can stabilize complex semiconducting architectures.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
  • aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).

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