SrCa3Ti4O12
SrCa3Ti4O12 is a semiconducting perovskite titanate that exists in a near-hull state, making it a promising candidate for synthesis and structural study.
About SrCa3Ti4O12
SrCa3Ti4O12 is a complex oxide belonging to the perovskite titanate family, characterized by its semiconducting electronic nature. Its composition reflects a sophisticated arrangement of strontium, calcium, and titanium cations within an oxygen framework, positioning it as a material of interest for advanced dielectric and electronic research.
As a near-hull compound, it is considered likely synthesizable under appropriate laboratory conditions. The existence of multiple reported structures across various databases highlights its structural versatility and potential for further investigation in solid-state chemistry and materials engineering.
Key Properties
Cross-validated computational properties for SrCa3Ti4O12, 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 SrCa3Ti4O12, 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. |
|---|---|---|---|---|---|
| Pm (No. 6) | monoclinic | 2.17 | 0.0096 | -8.479 | 4.20 |
| Pm (No. 6) | Monoclinic | — | — | — | 4.20 |
| Pm (No. 6) | Monoclinic | — | — | — | 4.41 |
| Pm (No. 6) | Monoclinic | — | — | — | 4.30 |
| Pm (No. 6) | — | — | — | — | — |
Applications
Where SrCa3Ti4O12 is used.
Frequently Asked Questions
Common questions about SrCa3Ti4O12, answered from cross-validated data.
What is SrCa3Ti4O12?
SrCa3Ti4O12 is a semiconducting perovskite titanate that exists in a near-hull state, making it a promising candidate for synthesis and structural study.
What is SrCa3Ti4O12 used for?
What is the band gap of SrCa3Ti4O12?
Is SrCa3Ti4O12 a metal, semiconductor, or insulator?
Is SrCa3Ti4O12 thermodynamically stable?
What is the crystal structure of SrCa3Ti4O12?
What is the density of SrCa3Ti4O12?
How many polymorphs of SrCa3Ti4O12 are known?
What elements does SrCa3Ti4O12 contain?
Where does the data for SrCa3Ti4O12 come from?
How It Compares
Within the perovskite titanates class.
Within the diverse class of perovskite titanates, SrCa3Ti4O12 occupies a unique niche compared to more common binary or simple ternary members like SrTiO3 or BaTiO3. While those classic materials are widely utilized for their robust ferroelectric and dielectric properties, SrCa3Ti4O12 represents a more complex structural variant that expands the compositional space of titanate-based semiconductors.
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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