Sr2CaTi3O9
Sr2CaTi3O9 is a semiconducting perovskite titanate that is considered thermodynamically accessible for synthesis and research.
About Sr2CaTi3O9
Sr2CaTi3O9 belongs to the family of perovskite titanates, a class of materials widely recognized for their versatile electronic and structural properties. As a semiconducting oxide, it sits in a promising thermodynamic regime, making it a viable candidate for synthesis and experimental characterization in complex oxide research.
Its structural complexity is highlighted by its presence in multiple crystallographic databases, reflecting significant interest from the materials science community. By leveraging the interplay between strontium, calcium, and titanium, this compound serves as a platform for exploring tunable dielectric responses and potential applications in next-generation electronic components.
Key Properties
Cross-validated computational properties for Sr2CaTi3O9, 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 Sr2CaTi3O9, 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. |
|---|---|---|---|---|---|
| P1 (No. 1) | triclinic | 2.07 | 0.0120 | -8.448 | 4.61 |
| Pm (No. 6) | monoclinic | 1.98 | 0.0123 | -8.448 | 4.62 |
| Fmm2 (No. 42) | orthorhombic | 1.90 | 0.0174 | -8.443 | 4.60 |
| P4/mmm (No. 123) | tetragonal | 1.78 | 0.0235 | -8.437 | 4.59 |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 4.59 |
| Fmm2 (No. 42) | Orthorhombic | — | — | — | 4.60 |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 4.83 |
| Fmm2 (No. 42) | Orthorhombic | — | — | — | 4.85 |
| Fmm2 (No. 42) | Orthorhombic | — | — | — | 4.73 |
| Fmm2 (No. 42) | — | — | — | — | — |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 4.71 |
| P4/mmm (No. 123) | — | — | — | — | — |
Applications
Where Sr2CaTi3O9 is used.
Frequently Asked Questions
Common questions about Sr2CaTi3O9, answered from cross-validated data.
What is Sr2CaTi3O9?
Sr2CaTi3O9 is a semiconducting perovskite titanate that is considered thermodynamically accessible for synthesis and research.
What is Sr2CaTi3O9 used for?
What is the band gap of Sr2CaTi3O9?
Is Sr2CaTi3O9 a metal, semiconductor, or insulator?
Is Sr2CaTi3O9 thermodynamically stable?
What is the crystal structure of Sr2CaTi3O9?
What is the density of Sr2CaTi3O9?
How many polymorphs of Sr2CaTi3O9 are known?
What elements does Sr2CaTi3O9 contain?
Where does the data for Sr2CaTi3O9 come from?
How It Compares
Within the perovskite titanates class.
Within the diverse landscape of perovskite titanates, Sr2CaTi3O9 serves as a structural bridge between simpler binary-cation perovskites like SrTiO3 and more complex layered Ruddlesden-Popper phases such as Sr3Ti2O7. While BaTiO3 remains the industry standard for high-permittivity applications, Sr2CaTi3O9 offers a unique chemical composition that allows researchers to fine-tune lattice parameters and electronic behavior, providing a distinct alternative to the more common CaTiO3 or Ba2TiO4 variants.
Related Compounds
Other Perovskite Titanates 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).
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