P4Si2Zn2

P4Si2Zn2 is a stable, semiconducting ternary compound formed from phosphorus, silicon, and zinc.

PSiZn
Crystal structure of P4Si2Zn2 (tetragonal, I-42d (No. 122))
Ground-state structure · Materials Project
Overview

About P4Si2Zn2

P4Si2Zn2 is a complex ternary compound composed of phosphorus, silicon, and zinc. It is characterized by its semiconducting electronic nature, which makes it a subject of interest for fundamental studies in solid-state physics and materials design.

As a thermodynamically stable phase located on the convex hull, this material exhibits robust structural integrity. With numerous reported structures documented across various databases, it represents a well-characterized system for researchers investigating the interplay between its constituent elements.

At a glance

Key Properties

Cross-validated computational properties for P4Si2Zn2, aggregated across 3 databases.

Band Gap

1.36 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

16
3 databases, 2 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for P4Si2Zn2, 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)tetragonal1.360.0000-9.3143.42
Fm-3m (No. 225)cubic0.000.7969-8.5174.29
3.34
I-42d (No. 122)
I-42d (No. 122)
I-42d (No. 122)
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 P4Si2Zn2 is used.

Semiconductor researchSolid-state materials developmentFundamental condensed matter physics
Reference

Frequently Asked Questions

Common questions about P4Si2Zn2, answered from cross-validated data.

What is P4Si2Zn2?

P4Si2Zn2 is a stable, semiconducting ternary compound formed from phosphorus, silicon, and zinc.

More questions
What is P4Si2Zn2 used for?
P4Si2Zn2 is used in semiconductor research, solid-state materials development, and fundamental condensed matter physics.
What is the band gap of P4Si2Zn2?
P4Si2Zn2 has a DFT-computed band gap of 1.36 eV across 16 reported structures.
Is P4Si2Zn2 a metal, semiconductor, or insulator?
With a band gap up to 1.36 eV it is a semiconductor.
Is P4Si2Zn2 thermodynamically stable?
Yes — P4Si2Zn2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of P4Si2Zn2?
The lowest-energy reported polymorph of P4Si2Zn2 is tetragonal symmetry, space group I-42d (No. 122).
What is the density of P4Si2Zn2?
The computed density of the ground-state structure of P4Si2Zn2 is 3.42 g/cm³.
How many polymorphs of P4Si2Zn2 are known?
16 structures of P4Si2Zn2 are reported across 3 databases, spanning 2 distinct space groups.
What elements does P4Si2Zn2 contain?
P4Si2Zn2 contains P, Si, and Zn (3 elements).
Where does the data for P4Si2Zn2 come from?
P4Si2Zn2 data is cross-referenced from materials_project, omat24, aflow.
Comparison

How It Compares

As a unique ternary system, P4Si2Zn2 serves as a distinct example of how phosphorus, silicon, and zinc can arrange into stable, semiconducting configurations. It stands as a specialized reference point for exploring the chemical space of phosphide-silicide-zinc materials.

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).

Analyze P4Si2Zn2 in the Lattice Graph platform

Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.

Explore the Platform →