SrPN2

SrPN2 is a thermodynamically stable, wide-band-gap insulating compound containing strontium, phosphorus, and nitrogen.

NPSr
Overview

About SrPN2

SrPN2 is a ternary inorganic compound composed of strontium, phosphorus, and nitrogen. As a wide-band-gap insulator, it exhibits electronic characteristics that make it a subject of interest for specialized optoelectronic and dielectric research.

This material is thermodynamically stable, sitting directly on the convex hull, which indicates a robust structural configuration. Its presence across multiple structural databases highlights its significance as a well-defined phase within the strontium-phosphorus-nitrogen system.

At a glance

Key Properties

Cross-validated computational properties for SrPN2, aggregated across 3 databases.

Band Gap

4.27 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

5
3 databases, 4 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for SrPN2, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P63 (No. 173)hexagonal4.270.0000-11.0594.97
Pm (No. 6)Monoclinic2.09
P-1 (No. 2)Triclinic2.36
P-1 (No. 2)Triclinic3.07
P4mm (No. 99)
Uses

Applications

Where SrPN2 is used.

Optoelectronic researchDielectric material developmentSolid-state chemistry studies
Reference

Frequently Asked Questions

Common questions about SrPN2, answered from cross-validated data.

What is SrPN2?

SrPN2 is a thermodynamically stable, wide-band-gap insulating compound containing strontium, phosphorus, and nitrogen.

More questions
What is SrPN2 used for?
SrPN2 is used in optoelectronic research, dielectric material development, and solid-state chemistry studies.
What is the band gap of SrPN2?
SrPN2 has a DFT-computed band gap of 4.27 eV across 5 reported structures.
Is SrPN2 a metal, semiconductor, or insulator?
With a wide band gap up to 4.27 eV it is an insulator / wide-band-gap material.
Is SrPN2 thermodynamically stable?
Yes — SrPN2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of SrPN2?
The lowest-energy reported polymorph of SrPN2 is hexagonal symmetry, space group P63 (No. 173).
What is the density of SrPN2?
The computed density of the ground-state structure of SrPN2 is 4.97 g/cm³.
How many polymorphs of SrPN2 are known?
5 structures of SrPN2 are reported across 3 databases, spanning 4 distinct space groups.
What elements does SrPN2 contain?
SrPN2 contains N, P, and Sr (3 elements).
Where does the data for SrPN2 come from?
SrPN2 data is cross-referenced from materials_project, mpaloe, jarvis.
Comparison

How It Compares

As a member of the ternary pnictide family, SrPN2 represents a stable structural arrangement that serves as a foundational reference point for exploring the broader chemical space of alkaline-earth metal phosphonitrides.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • mpaloe — Data from mpaloe.
  • jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).

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