As2Cd1Si1

As2Cd1Si1 is a thermodynamically stable semiconducting compound composed of arsenic, cadmium, and silicon.

AsCdSi
Crystal structure of As2Cd1Si1 (tetragonal, I-42d (No. 122))
Ground-state structure · Materials Project
Overview

About As2Cd1Si1

As2Cd1Si1 is a complex ternary compound composed of arsenic, cadmium, and silicon. As a thermodynamically stable phase located on the convex hull, it represents a robust crystalline arrangement that maintains structural integrity under standard conditions.

This material exhibits semiconducting electronic characteristics, positioning it as a candidate for specialized electronic and optoelectronic applications. Its unique elemental composition allows for distinct charge carrier behavior, making it a subject of interest for researchers exploring new functional semiconductors.

At a glance

Key Properties

Cross-validated computational properties for As2Cd1Si1, aggregated across 2 databases.

Band Gap

0.40 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
1 DFT source

Structures

27
2 databases, 19 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for As2Cd1Si1, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
I-42d (No. 122)tetragonal0.400.0000-4.0385.02
P4/mmm (No. 123)
R3m (No. 160)
P4/mmm (No. 123)
I-4m2 (No. 119)
P4/mmm (No. 123)
Imm2 (No. 44)
Cmm2 (No. 35)
C2/m (No. 12)
Pm (No. 6)
Cmmm (No. 65)
P4/mmm (No. 123)
Uses

Applications

Where As2Cd1Si1 is used.

Semiconductor researchOptoelectronic device developmentSolid-state electronics
Reference

Frequently Asked Questions

Common questions about As2Cd1Si1, answered from cross-validated data.

What is As2Cd1Si1?

As2Cd1Si1 is a thermodynamically stable semiconducting compound composed of arsenic, cadmium, and silicon.

More questions
What is As2Cd1Si1 used for?
As2Cd1Si1 is used in semiconductor research, optoelectronic device development, and solid-state electronics.
What is the band gap of As2Cd1Si1?
As2Cd1Si1 has a DFT-computed band gap of 0.40 eV across 27 reported structures.
Is As2Cd1Si1 a metal, semiconductor, or insulator?
With a band gap up to 0.40 eV it is a semiconductor.
Is As2Cd1Si1 thermodynamically stable?
Yes — As2Cd1Si1 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of As2Cd1Si1?
The lowest-energy reported polymorph of As2Cd1Si1 is tetragonal symmetry, space group I-42d (No. 122).
What is the density of As2Cd1Si1?
The computed density of the ground-state structure of As2Cd1Si1 is 5.02 g/cm³.
How many polymorphs of As2Cd1Si1 are known?
27 structures of As2Cd1Si1 are reported across 2 databases, spanning 19 distinct space groups.
What elements does As2Cd1Si1 contain?
As2Cd1Si1 contains As, Cd, and Si (3 elements).
Where does the data for As2Cd1Si1 come from?
As2Cd1Si1 data is cross-referenced from materials_project, aflow.
Comparison

How It Compares

As a distinct ternary compound, As2Cd1Si1 occupies a unique niche in materials science. Unlike simpler binary semiconductors, this material leverages the interplay between its three constituent elements to achieve its stable electronic profile, serving as a specialized building block for future semiconductor design.

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).

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