Sr5ZrTi4O15
Sr5ZrTi4O15 is a semiconducting perovskite titanate compound that is considered a promising candidate for synthesis due to its favorable thermodynamic stability.
About Sr5ZrTi4O15
Sr5ZrTi4O15 is a complex perovskite titanate that incorporates zirconium into its lattice structure. As a semiconducting material, it represents a specialized variation of the classic titanate framework, offering unique structural properties that distinguish it from simpler binary or ternary oxides.
This compound is recognized as being near the thermodynamic hull, indicating it is a viable candidate for experimental synthesis and practical study. Its structural complexity, supported by multiple reported configurations in materials databases, makes it an intriguing subject for researchers investigating tailored dielectric and electronic behaviors.
Key Properties
Cross-validated computational properties for Sr5ZrTi4O15, 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 Sr5ZrTi4O15, 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. |
|---|---|---|---|---|---|
| R-3m (No. 166) | trigonal | 1.95 | 0.0168 | -8.469 | 5.00 |
| Cmmm (No. 65) | orthorhombic | 1.90 | 0.0287 | -8.457 | 5.00 |
| P4/mmm (No. 123) | tetragonal | 1.76 | 0.0312 | -8.455 | 4.97 |
| R-3m (No. 166) | Trigonal | — | — | — | 5.00 |
| R-3m (No. 166) | Trigonal | — | — | — | 5.28 |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 5.11 |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 5.27 |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 4.97 |
| P4/mmm (No. 123) | — | — | — | — | — |
| R-3m (No. 166) | Trigonal | — | — | — | 5.14 |
| Cmmm (No. 65) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
Applications
Where Sr5ZrTi4O15 is used.
Frequently Asked Questions
Common questions about Sr5ZrTi4O15, answered from cross-validated data.
What is Sr5ZrTi4O15?
Sr5ZrTi4O15 is a semiconducting perovskite titanate compound that is considered a promising candidate for synthesis due to its favorable thermodynamic stability.
What is Sr5ZrTi4O15 used for?
What is the band gap of Sr5ZrTi4O15?
Is Sr5ZrTi4O15 a metal, semiconductor, or insulator?
Is Sr5ZrTi4O15 thermodynamically stable?
What is the crystal structure of Sr5ZrTi4O15?
What is the density of Sr5ZrTi4O15?
How many polymorphs of Sr5ZrTi4O15 are known?
What elements does Sr5ZrTi4O15 contain?
Where does the data for Sr5ZrTi4O15 come from?
How It Compares
Within the perovskite titanates class.
Within the diverse family of perovskite titanates, Sr5ZrTi4O15 occupies a more complex structural niche compared to simpler, highly symmetric compounds like SrTiO3 or BaTiO3. While those archetypal materials are widely utilized for their fundamental dielectric properties, Sr5ZrTi4O15 leverages the inclusion of zirconium to modify the lattice dynamics, placing it in a category of layered or substituted titanates that includes materials like Sr3Ti2O7.
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).
Analyze Sr5ZrTi4O15 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →