Cd2P4Si2

Cd2P4Si2 is a stable, semiconducting ternary phosphide compound that exhibits diverse structural configurations.

CdPSi
Crystal structure of Cd2P4Si2 (tetragonal, I-42d (No. 122))
Ground-state structure · Materials Project
Overview

About Cd2P4Si2

Cd2P4Si2 is a complex ternary phosphide that exhibits semiconducting electronic behavior. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement of cadmium, phosphorus, and silicon atoms. Its stability suggests potential for reliable performance in specialized material applications where consistent electronic properties are required. The material is characterized by a significant degree of structural diversity, as evidenced by multiple documented crystallographic configurations across various databases. This structural flexibility makes it a subject of interest for researchers investigating the relationship between atomic arrangement and electronic functionality in phosphide-based semiconductors.

At a glance

Key Properties

Cross-validated computational properties for Cd2P4Si2, aggregated across 3 databases.

Band Gap

1.43 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

9
3 databases, 2 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Cd2P4Si2, 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)tetragonal1.430.0000-11.9933.96
Fm-3m (No. 225)cubic0.000.7971-11.1964.84
3.88
I-42d (No. 122)
I-42d (No. 122)
I-42d (No. 122)
I-42d (No. 122)
I-42d (No. 122)
I-42d (No. 122)
Uses

Applications

Where Cd2P4Si2 is used.

Semiconductor researchMaterials science developmentElectronic component prototyping
Intellectual Property

Patent Landscape

3 patents reference Cd2P4Si2 or close compositional variants.

PatentTitleAssigneeGranted
8248032Charging system for prioritizing load consumption in a notebook computer
8263193Vacuum treatment method
8268035Process for producing refractory metal alloy powders
Reference

Frequently Asked Questions

Common questions about Cd2P4Si2, answered from cross-validated data.

What is Cd2P4Si2?

Cd2P4Si2 is a stable, semiconducting ternary phosphide compound that exhibits diverse structural configurations.

More questions
What is Cd2P4Si2 used for?
Cd2P4Si2 is used in semiconductor research, materials science development, and electronic component prototyping.
What is the band gap of Cd2P4Si2?
Cd2P4Si2 has a DFT-computed band gap of 1.43 eV across 9 reported structures.
Is Cd2P4Si2 a metal, semiconductor, or insulator?
With a band gap up to 1.43 eV it is a semiconductor.
Is Cd2P4Si2 thermodynamically stable?
Yes — Cd2P4Si2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Cd2P4Si2?
The lowest-energy reported polymorph of Cd2P4Si2 is tetragonal symmetry, space group I-42d (No. 122).
What is the density of Cd2P4Si2?
The computed density of the ground-state structure of Cd2P4Si2 is 3.96 g/cm³.
How many polymorphs of Cd2P4Si2 are known?
9 structures of Cd2P4Si2 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Cd2P4Si2 contain?
Cd2P4Si2 contains Cd, P, and Si (3 elements).
Where does the data for Cd2P4Si2 come from?
Cd2P4Si2 data is cross-referenced from materials_project, omat24, aflow.
Comparison

How It Compares

As a unique ternary compound within its chemical space, Cd2P4Si2 serves as a foundational example of how cadmium, phosphorus, and silicon can integrate into a stable, semiconducting framework. Unlike more common binary semiconductors, this material offers a distinct structural complexity that highlights the potential for tuning electronic properties through multi-element coordination.

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

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