Ca1Ga1Se2

Ca1Ga1Se2 is a thermodynamically stable semiconducting compound composed of calcium, gallium, and selenium.

CaGaSe
Overview

About Ca1Ga1Se2

Ca1Ga1Se2 is a thermodynamically stable ternary chalcogenide that sits securely on the convex hull, indicating significant structural integrity. As a semiconductor, it possesses electronic properties that make it a compelling candidate for specialized optoelectronic and solid-state research.

Its structural diversity is evidenced by numerous reported configurations, highlighting the flexibility of the calcium-gallium-selenium framework. This stability and electronic character position it as a foundational material for exploring new pathways in semiconductor device engineering.

At a glance

Key Properties

Cross-validated computational properties for Ca1Ga1Se2, aggregated across 2 databases.

Band Gap

1.92 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
1 DFT source

Structures

26
2 databases, 15 space groups
Uses

Applications

Where Ca1Ga1Se2 is used.

Semiconductor researchOptoelectronic device developmentSolid-state materials science
Reference

Frequently Asked Questions

Common questions about Ca1Ga1Se2, answered from cross-validated data.

What is Ca1Ga1Se2?

Ca1Ga1Se2 is a thermodynamically stable semiconducting compound composed of calcium, gallium, and selenium.

More questions
What is Ca1Ga1Se2 used for?
Ca1Ga1Se2 is used in semiconductor research, optoelectronic device development, and solid-state materials science.
What is the band gap of Ca1Ga1Se2?
Ca1Ga1Se2 has a DFT-computed band gap of 1.92 eV across 26 reported structures.
Is Ca1Ga1Se2 a metal, semiconductor, or insulator?
With a band gap up to 1.92 eV it is a semiconductor.
Is Ca1Ga1Se2 thermodynamically stable?
Yes — Ca1Ga1Se2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Ca1Ga1Se2 are known?
26 structures of Ca1Ga1Se2 are reported across 2 databases, spanning 15 distinct space groups.
What elements does Ca1Ga1Se2 contain?
Ca1Ga1Se2 contains Ca, Ga, and Se (3 elements).
Where does the data for Ca1Ga1Se2 come from?
Ca1Ga1Se2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a standalone representative of its specific ternary composition, Ca1Ga1Se2 serves as a primary reference point for calcium-gallium-chalcogenide systems, demonstrating the inherent stability achievable within this chemical space.

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

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