Sr3N2
Strontium nitride is a metastable, semiconducting binary compound consisting of strontium and nitrogen.
About Sr3N2
Strontium nitride is a binary compound composed of strontium and nitrogen. As a semiconducting material, it represents a specialized niche in inorganic chemistry, characterized by its metastable nature which makes it a subject of significant interest for structural studies.
Its existence across multiple databases underscores its complexity and the scientific curiosity surrounding its synthesis and behavior. While it remains a specialized compound, its electronic properties offer a unique profile for researchers investigating nitrogen-rich frameworks.
Key Properties
Cross-validated computational properties for Sr3N2, 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 Sr3N2. 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 Sr3N2, 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. |
|---|---|---|---|---|---|
| — | — | 0.57 | 0.0302 | -0.594 | — |
| Ia-3 (No. 206) | cubic | 0.35 | 0.0311 | -13.379 | 4.10 |
| — | — | 0.28 | 0.0417 | -0.583 | — |
| — | — | 0.00 | 0.0677 | -0.557 | — |
| — | — | 0.93 | 0.1136 | -0.511 | — |
| — | — | 1.09 | 0.1226 | -0.502 | — |
| — | — | 8.26 | 0.2230 | -0.401 | — |
| Pm-3m (No. 221) | cubic | 0.00 | 0.5301 | -0.182 | — |
| Pm-3m (No. 221) | cubic | 0.00 | 0.5582 | -12.851 | 3.91 |
| P-4m2 (No. 115) | tetragonal | — | — | — | 2.29 |
| Fmmm (No. 69) | orthorhombic | — | — | — | 3.39 |
| C2/m (No. 12) | monoclinic | — | — | — | 3.40 |
Applications
Where Sr3N2 is used.
Frequently Asked Questions
Common questions about Sr3N2, answered from cross-validated data.
What is Sr3N2?
Strontium nitride is a metastable, semiconducting binary compound consisting of strontium and nitrogen.
What is Sr3N2 used for?
What is the band gap of Sr3N2?
Is Sr3N2 a metal, semiconductor, or insulator?
Is Sr3N2 thermodynamically stable?
What is the crystal structure of Sr3N2?
What is the density of Sr3N2?
How many polymorphs of Sr3N2 are known?
What elements does Sr3N2 contain?
Where does the data for Sr3N2 come from?
How It Compares
As a metastable semiconducting nitride, this compound occupies a distinct position in inorganic materials science where stability is often a primary challenge for synthesis and practical integration.
Data sources & attribution
- 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)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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