Sr3Ti2O7
Sr3Ti2O7 is a stable, layered perovskite oxide that functions as a semiconductor in advanced materials applications.
About Sr3Ti2O7
Sr3Ti2O7 is a member of the Ruddlesden-Popper series of perovskite oxides, characterized by its layered structural arrangement. As a thermodynamically stable compound, it maintains a robust crystalline framework that is highly valued in fundamental materials research.
This semiconducting oxide is primarily investigated for its unique electronic properties and potential integration into thin-film heterostructures. Its ability to accommodate structural variations makes it a significant subject for studies focused on dielectric and semiconducting performance in complex oxide systems.
Key Properties
Cross-validated computational properties for Sr3Ti2O7, 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 Sr3Ti2O7. 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 Sr3Ti2O7, 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. |
|---|---|---|---|---|---|
| I4/mmm (No. 139) | tetragonal | 1.89 | 0.0000 | -3.371 | — |
| — | — | 1.84 | 0.0000 | -3.306 | — |
| I4/mmm (No. 139) | tetragonal | 1.84 | 0.0000 | -8.118 | 5.02 |
| I4/mmm (No. 139) | tetragonal | — | — | — | 5.04 |
| I4/mmm (No. 139) | tetragonal | — | — | — | 5.02 |
| I4/mmm (No. 139) | tetragonal | — | — | — | 4.91 |
| I4/mmm (No. 139) | tetragonal | — | — | — | 5.13 |
Synthesis Routes
Literature-extracted synthesis procedures targeting Sr3Ti2O7.
Applications
Where Sr3Ti2O7 is used.
Frequently Asked Questions
Common questions about Sr3Ti2O7, answered from cross-validated data.
What is Sr3Ti2O7?
Sr3Ti2O7 is a stable, layered perovskite oxide that functions as a semiconductor in advanced materials applications.
What is Sr3Ti2O7 used for?
What is the band gap of Sr3Ti2O7?
Is Sr3Ti2O7 a metal, semiconductor, or insulator?
Is Sr3Ti2O7 thermodynamically stable?
What is the crystal structure of Sr3Ti2O7?
How many polymorphs of Sr3Ti2O7 are known?
How is Sr3Ti2O7 synthesized?
What elements does Sr3Ti2O7 contain?
Where does the data for Sr3Ti2O7 come from?
How It Compares
Within the perovskite oxides class.
Within the diverse class of perovskite oxides, Sr3Ti2O7 occupies a distinct structural niche compared to the cubic symmetry found in BaTiO3. While many members like LaMnO3 or LaFeO3 are known for their magnetic properties, Sr3Ti2O7 is primarily noted for its layered architecture, which offers different pathways for electronic transport and structural engineering than the more common three-dimensional perovskite lattices.
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)
- 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)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
Analyze Sr3Ti2O7 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →