Sr2Nb2O7
Sr2Nb2O7 is a thermodynamically stable, semiconducting perovskite oxide used in advanced materials research for electronic and dielectric applications.
About Sr2Nb2O7
Sr2Nb2O7 is a complex perovskite oxide that occupies a stable position on the thermodynamic convex hull. Its semiconducting nature makes it a subject of significant interest for researchers exploring functional materials with tunable electronic properties.
Due to its structural versatility, this compound is frequently investigated for its dielectric and ferroelectric potential. It serves as a critical building block in material science studies aimed at developing next-generation oxide electronics and energy-harvesting technologies.
Key Properties
Cross-validated computational properties for Sr2Nb2O7, aggregated across 4 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.
Reported Structures
Lowest-energy structures reported for Sr2Nb2O7, 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. |
|---|---|---|---|---|---|
| Cmc21 (No. 36) | orthorhombic | 2.68 | 0.0000 | -8.593 | 5.06 |
| Pna21 (No. 33) | orthorhombic | 2.85 | 0.0011 | -8.592 | 4.97 |
| Cmc21 (No. 36) | Orthorhombic | — | — | — | 4.93 |
| Cmc21 (No. 36) | Orthorhombic | — | — | — | 5.13 |
| Cmc21 (No. 36) | — | — | — | — | — |
| Cmc21 (No. 36) | Orthorhombic | — | — | — | 5.00 |
| No. 0 | unknown | — | — | — | 1.30 |
Applications
Where Sr2Nb2O7 is used.
Frequently Asked Questions
Common questions about Sr2Nb2O7, answered from cross-validated data.
What is Sr2Nb2O7?
Sr2Nb2O7 is a thermodynamically stable, semiconducting perovskite oxide used in advanced materials research for electronic and dielectric applications.
What is Sr2Nb2O7 used for?
What is the band gap of Sr2Nb2O7?
Is Sr2Nb2O7 a metal, semiconductor, or insulator?
Is Sr2Nb2O7 thermodynamically stable?
What is the crystal structure of Sr2Nb2O7?
What is the density of Sr2Nb2O7?
How many polymorphs of Sr2Nb2O7 are known?
What elements does Sr2Nb2O7 contain?
Where does the data for Sr2Nb2O7 come from?
How It Compares
Within the perovskite oxides class.
Within the diverse family of perovskite oxides, Sr2Nb2O7 distinguishes itself from more common members like BaTiO3 or LaMnO3 through its unique niobium-based framework. While many of its siblings are primarily studied for their magnetic or catalytic properties, this compound is valued for its distinct electronic behavior and structural stability, positioning it as a specialized alternative to the more widely utilized lanthanum-based perovskites.
Related Compounds
Other Perovskite Oxides in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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