O19Sr5Ti7
O19Sr5Ti7 is a metastable semiconducting perovskite oxide composed of strontium, titanium, and oxygen.
About O19Sr5Ti7
O19Sr5Ti7 is a complex perovskite oxide characterized by its semiconducting electronic nature. As a metastable phase within the broader titanate-based oxide family, it represents a unique structural arrangement that challenges conventional synthesis pathways.
This material is of significant interest in solid-state chemistry due to its specific stoichiometry and the interplay between strontium and titanium ions. Its metastable status makes it a subject of focused study for researchers investigating phase stability and the potential for tuning electronic properties in oxide systems.
Key Properties
Cross-validated computational properties for O19Sr5Ti7, 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.
Reported Structures
Lowest-energy structures reported for O19Sr5Ti7, 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. |
|---|---|---|---|---|---|
| Pmmm (No. 47) | orthorhombic | 1.82 | 0.0936 | -8.538 | 2.57 |
| Pmmm (No. 47) | — | — | — | — | — |
| — | — | — | — | — | 3.81 |
Applications
Where O19Sr5Ti7 is used.
Frequently Asked Questions
Common questions about O19Sr5Ti7, answered from cross-validated data.
What is O19Sr5Ti7?
O19Sr5Ti7 is a metastable semiconducting perovskite oxide composed of strontium, titanium, and oxygen.
What is O19Sr5Ti7 used for?
What is the band gap of O19Sr5Ti7?
Is O19Sr5Ti7 a metal, semiconductor, or insulator?
Is O19Sr5Ti7 thermodynamically stable?
What is the crystal structure of O19Sr5Ti7?
What is the density of O19Sr5Ti7?
How many polymorphs of O19Sr5Ti7 are known?
What elements does O19Sr5Ti7 contain?
Where does the data for O19Sr5Ti7 come from?
How It Compares
Within the perovskite oxides class.
Within the diverse family of perovskite oxides, O19Sr5Ti7 occupies a distinct niche compared to highly stable and widely utilized members like BaTiO3. While BaTiO3 is a cornerstone of ferroelectric and dielectric technology, O19Sr5Ti7 is defined by its metastability, placing it in a different regime of structural complexity compared to the more common perovskites like LaMnO3 or LaAlO3.
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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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