As4Ca4Cd2

As4Ca4Cd2 is a stable, semiconducting ternary compound consisting of arsenic, calcium, and cadmium.

AsCaCd
Crystal structure of As4Ca4Cd2
Ground-state structure · Materials Project
Overview

About As4Ca4Cd2

As4Ca4Cd2 is a complex ternary compound composed of arsenic, calcium, and cadmium. It exhibits semiconducting electronic behavior and is recognized as a thermodynamically stable phase, sitting directly on the convex hull of its constituent elements. This stability suggests a robust atomic arrangement that is favorable for synthesis and long-term structural integrity. The compound is of significant interest in materials science due to its well-defined structural characteristics, supported by multiple entries across major crystallographic databases. Its unique composition makes it a subject of study for researchers investigating novel semiconducting materials with tailored electronic properties.

At a glance

Key Properties

Cross-validated computational properties for As4Ca4Cd2, aggregated across 4 databases.

Band Gap

0.66–0.85 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

7
4 databases, 3 space groups
Uses

Applications

Where As4Ca4Cd2 is used.

Semiconductor researchSolid-state materials developmentFundamental crystallographic studies
Reference

Frequently Asked Questions

Common questions about As4Ca4Cd2, answered from cross-validated data.

What is As4Ca4Cd2?

As4Ca4Cd2 is a stable, semiconducting ternary compound consisting of arsenic, calcium, and cadmium.

More questions
What is As4Ca4Cd2 used for?
As4Ca4Cd2 is used in semiconductor research, solid-state materials development, and fundamental crystallographic studies.
What is the band gap of As4Ca4Cd2?
As4Ca4Cd2 has a DFT-computed band gap of 0.66–0.85 eV across 7 reported structures.
Is As4Ca4Cd2 a metal, semiconductor, or insulator?
With a band gap up to 0.85 eV it is a semiconductor.
Is As4Ca4Cd2 thermodynamically stable?
Yes — As4Ca4Cd2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of As4Ca4Cd2 are known?
7 structures of As4Ca4Cd2 are reported across 4 databases, spanning 3 distinct space groups.
What elements does As4Ca4Cd2 contain?
As4Ca4Cd2 contains As, Ca, and Cd (3 elements).
Where does the data for As4Ca4Cd2 come from?
As4Ca4Cd2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique ternary phase, As4Ca4Cd2 represents a distinct point in the chemical space of calcium-cadmium arsenides. Without direct structural siblings, it serves as a foundational reference point for understanding how the integration of alkaline earth and transition metals influences the electronic band structure and stability of pnictide-based semiconductors.

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

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