Sr4Nb2O9
Sr4Nb2O9 is a thermodynamically stable, wide-gap insulating perovskite oxide used in advanced materials research.
About Sr4Nb2O9
Sr4Nb2O9 belongs to the perovskite oxide family, a class of materials highly valued for their structural versatility and electronic tunability. As a wide-gap insulator, it maintains robust electronic stability, which is essential for applications requiring high-performance dielectric behavior in complex oxide systems.
This compound is notable for its thermodynamic stability, sitting securely on the convex hull. Its structural diversity is highlighted by numerous reported configurations, reflecting the material's ability to accommodate various atomic arrangements while maintaining its fundamental insulating character.
Key Properties
Cross-validated computational properties for Sr4Nb2O9, 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 Sr4Nb2O9. 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 Sr4Nb2O9, 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 | 4.16 | 0.0000 | -14.027 | 4.74 |
| P-3 (No. 147) | trigonal | 3.72 | 0.0000 | -8.054 | 4.62 |
| P63/m (No. 176) | hexagonal | 3.68 | 0.0000 | -3.104 | — |
| — | — | 3.56 | 0.0000 | -3.084 | — |
| P-1 (No. 2) | triclinic | 3.57 | 0.0020 | -8.052 | 4.66 |
| P1 (No. 1) | triclinic | 1.48 | 0.0761 | -7.977 | 5.11 |
| P1 (No. 1) | triclinic | 3.25 | 0.0783 | -7.975 | 4.55 |
| Immm (No. 71) | orthorhombic | 2.74 | 0.0803 | -7.973 | 4.80 |
| C2/c (No. 15) | monoclinic | 3.01 | 0.0836 | -7.970 | 4.80 |
| P-1 (No. 2) | triclinic | — | — | — | 4.72 |
| P-1 (No. 2) | triclinic | — | — | — | 4.82 |
| Immm (No. 71) | orthorhombic | — | — | — | 4.94 |
Synthesis Routes
Literature-extracted synthesis procedures targeting Sr4Nb2O9.
Applications
Where Sr4Nb2O9 is used.
Frequently Asked Questions
Common questions about Sr4Nb2O9, answered from cross-validated data.
What is Sr4Nb2O9?
Sr4Nb2O9 is a thermodynamically stable, wide-gap insulating perovskite oxide used in advanced materials research.
What is Sr4Nb2O9 used for?
What is the band gap of Sr4Nb2O9?
Is Sr4Nb2O9 a metal, semiconductor, or insulator?
Is Sr4Nb2O9 thermodynamically stable?
What is the crystal structure of Sr4Nb2O9?
What is the density of Sr4Nb2O9?
How many polymorphs of Sr4Nb2O9 are known?
How is Sr4Nb2O9 synthesized?
What elements does Sr4Nb2O9 contain?
Where does the data for Sr4Nb2O9 come from?
How It Compares
Within the perovskite oxides class.
Within the diverse landscape of perovskite oxides, Sr4Nb2O9 stands out as a stable insulating member compared to the more electronically active and often conductive members like LaNiO3 or LaMnO3. While materials such as BaTiO3 are widely utilized for their ferroelectric properties, Sr4Nb2O9 serves as a reliable, stable dielectric component, offering a distinct electronic profile compared to the transition-metal-rich perovskites like LaFeO3 or LaCoO3.
Related Compounds
Other Perovskite Oxides in the database.
Data sources & attribution
- 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)
- 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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