As16Cd32I24

As16Cd32I24 is a semiconducting inorganic compound consisting of arsenic, cadmium, and iodine that shows promise for experimental synthesis.

AsCdI
Crystal structure of As16Cd32I24 (cubic, Pa-3 (No. 205))
Ground-state structure · Materials Project
Overview

About As16Cd32I24

As16Cd32I24 is a complex inorganic compound composed of arsenic, cadmium, and iodine. As a semiconducting material, it exhibits electronic properties that make it a subject of interest for fundamental solid-state research and potential optoelectronic applications.

This compound is characterized as near-hull, indicating that it is thermodynamically stable enough to be a viable target for experimental synthesis. Its structural complexity, reflected in multiple reported configurations across databases, highlights its significance as a unique member of its chemical system.

At a glance

Key Properties

Cross-validated computational properties for As16Cd32I24, aggregated across 3 databases.

Band Gap

1.17 eV
Range across DFT structures

Energy Above Hull

0.006 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

4
3 databases, 1 space group
Crystallography

Reported Structures

Lowest-energy structures reported for As16Cd32I24, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Pa-3 (No. 205)cubic1.170.0060-2.4375.52
Pa-3 (No. 205)
4.21
5.56
Uses

Applications

Where As16Cd32I24 is used.

Semiconductor researchMaterials science developmentOptoelectronic studies
Reference

Frequently Asked Questions

Common questions about As16Cd32I24, answered from cross-validated data.

What is As16Cd32I24?

As16Cd32I24 is a semiconducting inorganic compound consisting of arsenic, cadmium, and iodine that shows promise for experimental synthesis.

More questions
What is As16Cd32I24 used for?
As16Cd32I24 is used in semiconductor research, materials science development, and optoelectronic studies.
What is the band gap of As16Cd32I24?
As16Cd32I24 has a DFT-computed band gap of 1.17 eV across 4 reported structures.
Is As16Cd32I24 a metal, semiconductor, or insulator?
With a band gap up to 1.17 eV it is a semiconductor.
Is As16Cd32I24 thermodynamically stable?
As16Cd32I24 has a lowest energy above hull of 0.006 eV/atom (near hull (likely stable)).
What is the crystal structure of As16Cd32I24?
The lowest-energy reported polymorph of As16Cd32I24 is cubic symmetry, space group Pa-3 (No. 205).
What is the density of As16Cd32I24?
The computed density of the ground-state structure of As16Cd32I24 is 5.52 g/cm³.
How many polymorphs of As16Cd32I24 are known?
4 structures of As16Cd32I24 are reported across 3 databases, spanning 1 distinct space group.
What elements does As16Cd32I24 contain?
As16Cd32I24 contains As, Cd, and I (3 elements).
Where does the data for As16Cd32I24 come from?
As16Cd32I24 data is cross-referenced from materials_project, aflow, omat24.
Comparison

How It Compares

As a specialized inorganic compound, As16Cd32I24 represents a distinct structural arrangement within the arsenic-cadmium-iodine system. While it lacks direct siblings in this specific classification, its existence as a near-hull phase underscores its importance as a stable, synthesizable candidate for researchers exploring complex semiconductor architectures.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
  • omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).

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