SrCN2

SrCN2 is a thermodynamically stable, insulating strontium-based cyanamide compound.

CNSr
Crystal structure of SrCN2 (orthorhombic, Pnma (No. 62))
Ground-state structure · Materials Project
Overview

About SrCN2

Strontium cyanamide is a thermodynamically stable compound that resides on the convex hull, indicating significant structural robustness. As a wide-band-gap insulator, it possesses electronic properties characteristic of materials that resist electrical conduction under standard conditions.

This compound is notable for its structural diversity, with numerous reported configurations across major materials databases. Its stability and insulating nature make it a subject of interest for researchers investigating the fundamental behavior of alkaline earth metal cyanamides.

At a glance

Key Properties

Cross-validated computational properties for SrCN2, aggregated across 3 databases.

Band Gap

3.21–3.60 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

10
3 databases, 2 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for SrCN2, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Pnma (No. 62)orthorhombic3.600.0000-11.8303.17
R-3m (No. 166)trigonal3.210.0005-11.8293.07
R-3m (No. 166)
Pnma (No. 62)
R-3m (No. 166)Trigonal3.01
Pnma (No. 62)Orthorhombic3.10
R-3m (No. 166)Trigonal3.10
R-3m (No. 166)Trigonal3.03
Pnma (No. 62)Orthorhombic3.20
Pnma (No. 62)Orthorhombic3.12
Reference

Frequently Asked Questions

Common questions about SrCN2, answered from cross-validated data.

What is SrCN2?

SrCN2 is a thermodynamically stable, insulating strontium-based cyanamide compound.

More questions
What is the band gap of SrCN2?
SrCN2 has a DFT-computed band gap of 3.21–3.60 eV across 10 reported structures.
Is SrCN2 a metal, semiconductor, or insulator?
With a wide band gap up to 3.60 eV it is an insulator / wide-band-gap material.
Is SrCN2 thermodynamically stable?
Yes — SrCN2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of SrCN2?
The lowest-energy reported polymorph of SrCN2 is orthorhombic symmetry, space group Pnma (No. 62).
What is the density of SrCN2?
The computed density of the ground-state structure of SrCN2 is 3.17 g/cm³.
How many polymorphs of SrCN2 are known?
10 structures of SrCN2 are reported across 3 databases, spanning 2 distinct space groups.
What elements does SrCN2 contain?
SrCN2 contains C, N, and Sr (3 elements).
Where does the data for SrCN2 come from?
SrCN2 data is cross-referenced from materials_project, jarvis, mpaloe.
Comparison

How It Compares

As a distinct member of the cyanamide family, SrCN2 represents a stable, insulating framework that serves as a foundational reference point for understanding the structural and electronic trends within this class of materials.

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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