CaGa2

CaGa2 is a thermodynamically stable, semiconducting intermetallic compound composed of calcium and gallium.

CaGa
Crystal structure of CaGa2
Ground-state structure · Materials Project
Overview

About CaGa2

CaGa2 is a thermodynamically stable intermetallic compound that sits directly on the convex hull, indicating significant structural robustness. As a semiconducting material, it offers unique electronic characteristics that distinguish it from purely metallic alloys. The compound has been extensively characterized in material databases, reflecting its high degree of structural complexity and interest within the research community. Its stability makes it a reliable candidate for fundamental studies into calcium-gallium phase behavior and electronic structure. Beyond its theoretical importance, the compound serves as a key subject for understanding how alkaline earth metals and group thirteen elements interact to form stable, semiconducting frameworks.

At a glance

Key Properties

Cross-validated computational properties for CaGa2, aggregated across 3 databases.

Band Gap

0.16 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

26
3 databases, 7 space groups
Synthesis

Synthesis Routes

Literature-extracted synthesis procedures targeting CaGa2.

Sol Gel
Procedure available · ceder_sol_gel
Solid State
Procedure available · ceder_solid_state
Solid State
Procedure available · ceder_solid_state
Solid State
Procedure available · ceder_solid_state
Uses

Applications

Where CaGa2 is used.

Fundamental materials researchSemiconductor physics studiesAlloy phase diagram development
Reference

Frequently Asked Questions

Common questions about CaGa2, answered from cross-validated data.

What is CaGa2?

CaGa2 is a thermodynamically stable, semiconducting intermetallic compound composed of calcium and gallium.

More questions
What is CaGa2 used for?
CaGa2 is used in fundamental materials research, semiconductor physics studies, and alloy phase diagram development.
What is the band gap of CaGa2?
CaGa2 has a DFT-computed band gap of 0.16 eV across 26 reported structures.
Is CaGa2 a metal, semiconductor, or insulator?
With a band gap up to 0.16 eV it is a semiconductor.
Is CaGa2 thermodynamically stable?
Yes — CaGa2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of CaGa2 are known?
26 structures of CaGa2 are reported across 3 databases, spanning 7 distinct space groups.
How is CaGa2 synthesized?
Literature-reported routes for CaGa2 include sol gel, solid state (4 procedures documented).
What elements does CaGa2 contain?
CaGa2 contains Ca and Ga (2 elements).
Where does the data for CaGa2 come from?
CaGa2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a thermodynamically stable semiconducting phase, CaGa2 represents a distinct structural configuration within the broader landscape of calcium-gallium intermetallics, serving as a benchmark for stability in this binary system.

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

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