SrNb2O6
SrNb2O6 is a stable, semiconducting perovskite oxide used in advanced materials research and electronic applications.
About SrNb2O6
SrNb2O6 is a thermodynamically stable member of the perovskite oxide family. Characterized by its semiconducting electronic nature, this compound represents a key structural arrangement within complex transition metal oxides, offering a platform for exploring functional properties in solid-state chemistry. Its stability on the convex hull makes it a reliable candidate for fundamental materials research and potential integration into electronic devices. The material is primarily studied for its unique structural configuration and its role in the broader landscape of niobate-based oxides. By providing a stable framework for charge transport, it serves as a critical subject for understanding how structural variations influence semiconducting behavior in perovskite-related systems.
Key Properties
Cross-validated computational properties for SrNb2O6, aggregated across 2 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 SrNb2O6. 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 SrNb2O6, 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. |
|---|---|---|---|---|---|
| — | — | 3.22 | 0.0000 | -3.056 | — |
| P21/c (No. 14) | monoclinic | 3.00 | 0.0000 | -8.969 | 5.04 |
| P21/c (No. 14) | monoclinic | 2.97 | 0.0000 | -2.992 | — |
| — | — | 3.09 | 0.0016 | -3.054 | — |
| — | — | 3.71 | 0.0074 | -3.049 | — |
| — | — | 3.73 | 0.0223 | -3.034 | — |
| — | — | 3.70 | 0.0274 | -3.029 | — |
| — | — | 1.61 | 0.0395 | -3.016 | — |
| P21/c (No. 14) | monoclinic | — | — | — | 5.17 |
| Pnma (No. 62) | orthorhombic | — | — | — | 5.17 |
Synthesis Routes
Literature-extracted synthesis procedures targeting SrNb2O6.
Applications
Where SrNb2O6 is used.
Frequently Asked Questions
Common questions about SrNb2O6, answered from cross-validated data.
What is SrNb2O6?
SrNb2O6 is a stable, semiconducting perovskite oxide used in advanced materials research and electronic applications.
What is SrNb2O6 used for?
What is the band gap of SrNb2O6?
Is SrNb2O6 a metal, semiconductor, or insulator?
Is SrNb2O6 thermodynamically stable?
What is the crystal structure of SrNb2O6?
What is the density of SrNb2O6?
How many polymorphs of SrNb2O6 are known?
How is SrNb2O6 synthesized?
What elements does SrNb2O6 contain?
Where does the data for SrNb2O6 come from?
How It Compares
Within the perovskite oxides class.
Within the diverse family of perovskite oxides, SrNb2O6 occupies a distinct niche compared to highly studied ferroelectrics like BaTiO3 or magnetic conductors like LaMnO3. While many of its peers, such as LaAlO3, are widely utilized as substrates due to their insulating nature, SrNb2O6 provides a different electronic profile that bridges the gap between simple insulators and more complex, highly correlated metallic oxides like LaNiO3.
Related Compounds
Other Perovskite Oxides in the database.
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)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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