SrSnN2
SrSnN2 is a metastable semiconducting nitride compound characterized by its structural versatility.
About SrSnN2
SrSnN2 is a nitrogen-containing ternary compound that exhibits semiconducting electronic behavior. As a metastable phase, it represents a specialized material of interest for researchers investigating the complex landscape of nitride-based semiconductors.
Its structural diversity is highlighted by multiple reported configurations across various databases, reflecting its potential for tunable properties. This compound serves as a subject of study for those looking to expand the library of functional inorganic nitrides.
Key Properties
Cross-validated computational properties for SrSnN2, aggregated across 3 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of SrSnN2. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for SrSnN2, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 1.04 | 0.0806 | -0.428 | — |
| P21/c (No. 14) | monoclinic | 1.07 | 0.0988 | -14.906 | 5.11 |
| P4/nmm (No. 129) | tetragonal | 0.59 | 0.1006 | -0.408 | — |
| — | — | 1.12 | 0.1263 | -0.375 | — |
| — | — | 0.73 | 0.1301 | -0.371 | — |
| P4/nmm (No. 129) | tetragonal | 0.00 | 0.1354 | -14.869 | 5.68 |
| P21/c (No. 14) | monoclinic | — | — | — | 5.22 |
| P21/c (No. 14) | monoclinic | — | — | — | 5.32 |
| P4/nmm (No. 129) | tetragonal | — | — | — | 5.82 |
| P21/c (No. 14) | monoclinic | — | — | — | 5.11 |
| P4/nmm (No. 129) | tetragonal | — | — | — | 5.94 |
| P4/nmm (No. 129) | tetragonal | — | — | — | 5.68 |
Applications
Where SrSnN2 is used.
Frequently Asked Questions
Common questions about SrSnN2, answered from cross-validated data.
What is SrSnN2?
SrSnN2 is a metastable semiconducting nitride compound characterized by its structural versatility.
What is SrSnN2 used for?
What is the band gap of SrSnN2?
Is SrSnN2 a metal, semiconductor, or insulator?
Is SrSnN2 thermodynamically stable?
What is the crystal structure of SrSnN2?
How many polymorphs of SrSnN2 are known?
What elements does SrSnN2 contain?
Where does the data for SrSnN2 come from?
How It Compares
As a unique ternary nitride, SrSnN2 occupies a distinct space in materials science where its metastability makes it a challenging but intriguing target for synthesis compared to more common, highly stable binary nitrides.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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