SrWN3
SrWN3 is a metastable semiconducting ternary nitride containing strontium and tungsten.
About SrWN3
SrWN3 is a complex ternary nitride composed of strontium, tungsten, and nitrogen. As a semiconducting material, it represents an intriguing candidate for electronic and optoelectronic research, where its unique composition offers distinct pathways for band structure engineering.
Despite its metastable nature, the compound has attracted significant interest, as evidenced by its presence across multiple structural databases. Its synthesis and stability are subjects of ongoing investigation, aiming to harness its properties for specialized technological integration.
Key Properties
Cross-validated computational properties for SrWN3, 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 SrWN3. 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 SrWN3, 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. |
|---|---|---|---|---|---|
| — | — | 1.19 | 0.0000 | -0.768 | — |
| P1 (No. 1) | triclinic | 1.13 | 0.0000 | -0.926 | — |
| C2/m (No. 12) | monoclinic | 1.30 | 0.0188 | -0.907 | — |
| P1 (No. 1) | triclinic | 1.11 | 0.0555 | -19.606 | 7.20 |
| C2/m (No. 12) | monoclinic | 1.27 | 0.0741 | -19.588 | 6.81 |
| P1 (No. 1) | triclinic | — | — | — | 7.14 |
| P1 (No. 1) | triclinic | — | — | — | 7.05 |
| P1 (No. 1) | triclinic | — | — | — | 7.38 |
| C2/m (No. 12) | monoclinic | — | — | — | 6.96 |
| C2/m (No. 12) | monoclinic | — | — | — | 6.66 |
| C2/m (No. 12) | monoclinic | — | — | — | 6.74 |
Applications
Where SrWN3 is used.
Frequently Asked Questions
Common questions about SrWN3, answered from cross-validated data.
What is SrWN3?
SrWN3 is a metastable semiconducting ternary nitride containing strontium and tungsten.
What is SrWN3 used for?
What is the band gap of SrWN3?
Is SrWN3 a metal, semiconductor, or insulator?
Is SrWN3 thermodynamically stable?
How many polymorphs of SrWN3 are known?
What elements does SrWN3 contain?
Where does the data for SrWN3 come from?
How It Compares
As a unique ternary nitride, SrWN3 occupies a specialized niche within the broader landscape of semiconducting materials. While many nitrides are characterized by their robust stability, this compound stands out due to its metastable state, which provides a distinct set of challenges and opportunities for researchers focused on precision synthesis and phase control.
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)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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