Sr2N

Sr2N is a thermodynamically stable semiconducting binary nitride.

NSr
Crystal structure of Sr2N (trigonal, R-3m (No. 166))
Ground-state structure · Materials Project
Overview

About Sr2N

Sr2N is a distinct nitride compound that occupies a stable position on the convex hull, indicating significant thermodynamic robustness. Its semiconducting nature makes it an intriguing subject for fundamental research into electronic materials science.

With a high degree of structural diversity documented across multiple databases, this compound serves as a key reference point for understanding nitrogen-strontium interactions. Its stability and electronic profile suggest it may hold untapped potential for specialized technological development.

At a glance

Key Properties

Cross-validated computational properties for Sr2N, aggregated across 3 databases.

Band Gap

0.11 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

24
3 databases, 8 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Sr2N, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
R-3m (No. 166)trigonal0.000.0000-13.8123.51
C2/m (No. 12)monoclinic0.113.2699-10.5420.12
P-1 (No. 2)Triclinic4.61
C2/m (No. 12)Monoclinic3.55
P2/m (No. 10)Monoclinic3.33
P2/m (No. 10)Monoclinic3.31
C2/m (No. 12)Monoclinic3.95
C2/m (No. 12)Monoclinic2.95
P42/mmc (No. 131)Tetragonal3.31
P-1 (No. 2)Triclinic2.63
C2/c (No. 15)Monoclinic3.74
C2/m (No. 12)Monoclinic3.23
Uses

Applications

Where Sr2N is used.

Fundamental materials researchElectronic property studies
Reference

Frequently Asked Questions

Common questions about Sr2N, answered from cross-validated data.

What is Sr2N?

Sr2N is a thermodynamically stable semiconducting binary nitride.

More questions
What is Sr2N used for?
Sr2N is used in fundamental materials research and electronic property studies.
What is the band gap of Sr2N?
Sr2N has a DFT-computed band gap of 0.11 eV across 24 reported structures.
Is Sr2N a metal, semiconductor, or insulator?
With a band gap up to 0.11 eV it is a semiconductor.
Is Sr2N thermodynamically stable?
Yes — Sr2N sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Sr2N?
The lowest-energy reported polymorph of Sr2N is trigonal symmetry, space group R-3m (No. 166).
What is the density of Sr2N?
The computed density of the ground-state structure of Sr2N is 3.51 g/cm³.
How many polymorphs of Sr2N are known?
24 structures of Sr2N are reported across 3 databases, spanning 8 distinct space groups.
What elements does Sr2N contain?
Sr2N contains N and Sr (2 elements).
Where does the data for Sr2N come from?
Sr2N data is cross-referenced from materials_project, mpaloe, jarvis.
Comparison

How It Compares

As a stable semiconducting nitride, Sr2N represents a unique structural configuration within the landscape of strontium-based nitrogen compounds. It serves as a foundational example of how these elements can form thermodynamically favored phases with distinct electronic properties.

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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