Sr3VN3
Sr3VN3 is a metastable, semiconducting ternary nitride containing strontium, vanadium, and nitrogen.
About Sr3VN3
Sr3VN3 is a complex nitride compound composed of strontium, vanadium, and nitrogen. As a semiconducting material, it represents a specialized niche in inorganic chemistry where the interplay of transition metals and alkaline earth elements dictates its electronic behavior.
Because this compound is classified as metastable, it occupies a unique position in solid-state synthesis research. Its existence across multiple structural configurations highlights the intricate phase landscape that researchers navigate when developing new nitride-based materials for advanced electronic applications.
Key Properties
Cross-validated computational properties for Sr3VN3, 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 Sr3VN3. 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 Sr3VN3, 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. |
|---|---|---|---|---|---|
| P63/m (No. 176) | hexagonal | 0.38 | 0.0000 | -1.118 | — |
| — | — | 0.88 | 0.0637 | -0.977 | — |
| P63/m (No. 176) | hexagonal | 0.60 | 0.0698 | -13.501 | 4.26 |
| P63/m (No. 176) | hexagonal | — | — | — | 4.20 |
| P63/m (No. 176) | hexagonal | — | — | — | 4.29 |
| P63/m (No. 176) | hexagonal | — | — | — | 4.24 |
Applications
Where Sr3VN3 is used.
Frequently Asked Questions
Common questions about Sr3VN3, answered from cross-validated data.
What is Sr3VN3?
Sr3VN3 is a metastable, semiconducting ternary nitride containing strontium, vanadium, and nitrogen.
What is Sr3VN3 used for?
What is the band gap of Sr3VN3?
Is Sr3VN3 a metal, semiconductor, or insulator?
Is Sr3VN3 thermodynamically stable?
What is the crystal structure of Sr3VN3?
How many polymorphs of Sr3VN3 are known?
What elements does Sr3VN3 contain?
Where does the data for Sr3VN3 come from?
How It Compares
As a distinct nitride phase, Sr3VN3 serves as a foundational example of how strontium-vanadium-nitrogen systems can be tuned to achieve semiconducting properties, providing a baseline for exploring the wider potential of ternary nitrides in this chemical family.
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)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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