SrTiN2

SrTiN2 is a thermodynamically stable semiconducting nitride material used in advanced materials research.

NSrTi
Crystal structure of SrTiN2 (tetragonal, P4/nmm (No. 129))
Ground-state structure · Materials Project
Overview

About SrTiN2

SrTiN2 is a semiconducting ternary nitride that sits firmly on the convex hull, indicating significant thermodynamic stability. Its composition of strontium, titanium, and nitrogen allows for a unique electronic structure that researchers are investigating for potential use in next-generation electronic devices.

Because it is a stable member of the nitride family, this compound serves as a valuable subject for computational and experimental study. Its ability to maintain structural integrity makes it a promising candidate for materials science applications where reliable semiconducting behavior is required.

At a glance

Key Properties

Cross-validated computational properties for SrTiN2, aggregated across 3 databases.

Band Gap

0.79 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

6
3 databases, 2 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for SrTiN2, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P4/nmm (No. 129)tetragonal0.790.0000-13.1944.66
P4/nmm (No. 129)
P4/nmm (No. 129)Tetragonal4.60
P4mm (No. 99)
P4/nmm (No. 129)Tetragonal4.71
P4/nmm (No. 129)Tetragonal4.64
Uses

Applications

Where SrTiN2 is used.

Semiconductor researchOptoelectronic device developmentMaterials science exploration
Reference

Frequently Asked Questions

Common questions about SrTiN2, answered from cross-validated data.

What is SrTiN2?

SrTiN2 is a thermodynamically stable semiconducting nitride material used in advanced materials research.

More questions
What is SrTiN2 used for?
SrTiN2 is used in semiconductor research, optoelectronic device development, and materials science exploration.
What is the band gap of SrTiN2?
SrTiN2 has a DFT-computed band gap of 0.79 eV across 6 reported structures.
Is SrTiN2 a metal, semiconductor, or insulator?
With a band gap up to 0.79 eV it is a semiconductor.
Is SrTiN2 thermodynamically stable?
Yes — SrTiN2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of SrTiN2?
The lowest-energy reported polymorph of SrTiN2 is tetragonal symmetry, space group P4/nmm (No. 129).
What is the density of SrTiN2?
The computed density of the ground-state structure of SrTiN2 is 4.66 g/cm³.
How many polymorphs of SrTiN2 are known?
6 structures of SrTiN2 are reported across 3 databases, spanning 2 distinct space groups.
What elements does SrTiN2 contain?
SrTiN2 contains N, Sr, and Ti (3 elements).
Where does the data for SrTiN2 come from?
SrTiN2 data is cross-referenced from materials_project, jarvis, mpaloe.
Comparison

How It Compares

As a stable ternary nitride, SrTiN2 represents a distinct point in the chemical space of transition metal nitrides. While it does not have direct siblings in this specific dataset, it serves as a foundational example of how alkaline earth metals and transition metals can be combined to form robust, semiconducting frameworks.

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

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