Sr3Ti2O7

Sr3Ti2O7 is a stable, layered perovskite oxide that functions as a semiconductor in advanced materials applications.

Crystal structure of Sr3Ti2O7 (tetragonal, I4/mmm (No. 139))
Ground-state structure · Materials Project
Overview

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.

At a glance

Key Properties

Cross-validated computational properties for Sr3Ti2O7, aggregated across 3 databases.

Band Gap

1.84 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

5
3 databases, 1 space group
Crystallography

Reported Structures

Lowest-energy structures reported for Sr3Ti2O7, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
I4/mmm (No. 139)tetragonal1.840.0000-8.1185.02
I4/mmm (No. 139)
I4/mmm (No. 139)Tetragonal4.91
I4/mmm (No. 139)Tetragonal5.13
I4/mmm (No. 139)Tetragonal5.02
Uses

Applications

Where Sr3Ti2O7 is used.

Thin-film electronicsDielectric researchSemiconductor device development
Reference

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.

More questions
What is Sr3Ti2O7 used for?
Sr3Ti2O7 is used in thin-film electronics, dielectric research, and semiconductor device development.
What is the band gap of Sr3Ti2O7?
Sr3Ti2O7 has a DFT-computed band gap of 1.84 eV across 5 reported structures.
Is Sr3Ti2O7 a metal, semiconductor, or insulator?
With a band gap up to 1.84 eV it is a semiconductor.
Is Sr3Ti2O7 thermodynamically stable?
Yes — Sr3Ti2O7 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Sr3Ti2O7?
The lowest-energy reported polymorph of Sr3Ti2O7 is tetragonal symmetry, space group I4/mmm (No. 139).
What is the density of Sr3Ti2O7?
The computed density of the ground-state structure of Sr3Ti2O7 is 5.02 g/cm³.
How many polymorphs of Sr3Ti2O7 are known?
5 structures of Sr3Ti2O7 are reported across 3 databases, spanning 1 distinct space group.
What elements does Sr3Ti2O7 contain?
Sr3Ti2O7 contains O, Sr, and Ti (3 elements).
Where does the data for Sr3Ti2O7 come from?
Sr3Ti2O7 data is cross-referenced from materials_project, jarvis, mpaloe.
Comparison

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.

Explore

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).
  • jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
  • mpaloe — Data from mpaloe.

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