As3Ca2

As3Ca2 is a semiconducting calcium arsenide compound that is considered a promising candidate for experimental synthesis.

AsCa
Crystal structure of As3Ca2
Ground-state structure · Materials Project
Overview

About As3Ca2

As3Ca2 is a calcium-based arsenide that exhibits semiconducting electronic properties. As a near-hull material, it occupies a favorable energetic position that suggests it is likely synthesizable under appropriate experimental conditions.

Its structural diversity, evidenced by multiple reported configurations across databases, makes it an intriguing subject for solid-state chemistry. Understanding its bonding environment is essential for evaluating its potential utility in future electronic or optoelectronic device frameworks.

At a glance

Key Properties

Cross-validated computational properties for As3Ca2, aggregated across 3 databases.

Band Gap

0.28 eV
Range across DFT structures

Energy Above Hull

0.003 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

4
3 databases, 3 space groups
Uses

Applications

Where As3Ca2 is used.

Semiconductor researchSolid-state chemistry studiesMaterials science exploration
Reference

Frequently Asked Questions

Common questions about As3Ca2, answered from cross-validated data.

What is As3Ca2?

As3Ca2 is a semiconducting calcium arsenide compound that is considered a promising candidate for experimental synthesis.

More questions
What is As3Ca2 used for?
As3Ca2 is used in semiconductor research, solid-state chemistry studies, and materials science exploration.
What is the band gap of As3Ca2?
As3Ca2 has a DFT-computed band gap of 0.28 eV across 4 reported structures.
Is As3Ca2 a metal, semiconductor, or insulator?
With a band gap up to 0.28 eV it is a semiconductor.
Is As3Ca2 thermodynamically stable?
As3Ca2 has a lowest energy above hull of 0.003 eV/atom (near hull (likely stable)).
How many polymorphs of As3Ca2 are known?
4 structures of As3Ca2 are reported across 3 databases, spanning 3 distinct space groups.
What elements does As3Ca2 contain?
As3Ca2 contains As and Ca (2 elements).
Where does the data for As3Ca2 come from?
As3Ca2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a specialized arsenide, As3Ca2 functions as a distinct candidate within the broader landscape of binary pnictide semiconductors. While it lacks direct structural siblings in this specific dataset, it represents a critical point of study for understanding the stability trends and electronic behavior of calcium-arsenic systems compared to more common semiconductor materials.

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

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