SrNb6O16
SrNb6O16 is a metastable semiconducting oxide belonging to the perovskite family, primarily utilized in fundamental materials science research.
About SrNb6O16
SrNb6O16 is a complex perovskite oxide characterized by its semiconducting electronic nature. As a metastable phase, it represents a unique structural configuration within the broader family of strontium-niobium-oxygen compounds, offering distinct pathways for materials engineering.
This material is primarily of interest in fundamental solid-state research where its specific stoichiometry and electronic behavior are investigated for potential integration into specialized electronic devices. Its existence across multiple reported structures underscores its significance in exploring non-equilibrium phases in oxide chemistry.
Key Properties
Cross-validated computational properties for SrNb6O16, 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 SrNb6O16. 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 SrNb6O16, 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. |
|---|---|---|---|---|---|
| Amm2 (No. 38) | orthorhombic | 1.72 | 0.0230 | -2.802 | — |
| Amm2 (No. 38) | orthorhombic | 1.63 | 0.0252 | -9.239 | 4.82 |
| — | — | 1.89 | 0.0264 | -2.900 | — |
| Amm2 (No. 38) | orthorhombic | — | — | — | 4.90 |
| Amm2 (No. 38) | orthorhombic | — | — | — | 5.04 |
| Amm2 (No. 38) | orthorhombic | — | — | — | 4.82 |
Applications
Where SrNb6O16 is used.
Frequently Asked Questions
Common questions about SrNb6O16, answered from cross-validated data.
What is SrNb6O16?
SrNb6O16 is a metastable semiconducting oxide belonging to the perovskite family, primarily utilized in fundamental materials science research.
What is SrNb6O16 used for?
What is the band gap of SrNb6O16?
Is SrNb6O16 a metal, semiconductor, or insulator?
Is SrNb6O16 thermodynamically stable?
What is the crystal structure of SrNb6O16?
How many polymorphs of SrNb6O16 are known?
What elements does SrNb6O16 contain?
Where does the data for SrNb6O16 come from?
How It Compares
Within the perovskite oxides class.
Unlike the highly stable and widely utilized BaTiO3 or the common perovskite-based catalysts like LaMnO3 and LaFeO3, SrNb6O16 exists in a metastable state, making it a more niche subject of study compared to the robust, extensively characterized members of the perovskite class.
Related Compounds
Other Perovskite Oxides in the database.
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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