CaAs

CaAs is a thermodynamically stable semiconducting compound made of calcium and arsenic that is frequently studied for its diverse structural properties.

AsCa
Crystal structure of CaAs
Ground-state structure · Materials Project
Overview

About CaAs

CaAs is a semiconducting binary compound formed from calcium and arsenic. As a thermodynamically stable phase residing on the convex hull, it represents a robust configuration within its chemical system, making it a subject of significant interest for structural analysis and electronic property studies.

With a high degree of structural complexity, this material has been extensively documented across multiple databases. Its stable nature and semiconducting character suggest potential utility in fundamental solid-state research and the development of specialized electronic components.

At a glance

Key Properties

Cross-validated computational properties for CaAs, aggregated across 4 databases.

Band Gap

0.31 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

64
4 databases, 19 space groups
Uses

Applications

Where CaAs is used.

Solid-state electronic researchMaterials science structural analysis
Reference

Frequently Asked Questions

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

What is CaAs?

CaAs is a thermodynamically stable semiconducting compound made of calcium and arsenic that is frequently studied for its diverse structural properties.

More questions
What is CaAs used for?
CaAs is used in solid-state electronic research and materials science structural analysis.
What is the band gap of CaAs?
CaAs has a DFT-computed band gap of 0.31 eV across 64 reported structures.
Is CaAs a metal, semiconductor, or insulator?
With a band gap up to 0.31 eV it is a semiconductor.
Is CaAs thermodynamically stable?
Yes — CaAs sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of CaAs are known?
64 structures of CaAs are reported across 4 databases, spanning 19 distinct space groups.
What elements does CaAs contain?
CaAs contains As and Ca (2 elements).
Where does the data for CaAs come from?
CaAs data is cross-referenced from latticegraph.
Comparison

How It Compares

As a thermodynamically stable semiconducting phase, CaAs serves as a primary reference point for studying calcium-arsenic interactions. Its existence on the convex hull distinguishes it as a particularly reliable and well-defined member of its chemical family, providing a foundational baseline for exploring related binary or ternary arsenide systems.

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

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