SrTa4O11
SrTa4O11 is a thermodynamically stable, insulating perovskite oxide used in advanced materials research.
About SrTa4O11
SrTa4O11 is a stable member of the perovskite oxide family, distinguished by its wide-band-gap insulating properties. Its structural integrity is confirmed by its position on the thermodynamic convex hull, making it a reliable candidate for high-performance dielectric applications. The material is frequently studied for its complex crystal architecture, which is supported by multiple reported structural variations. This stability and electronic character make it a valuable subject for researchers exploring oxide-based electronic components.
Key Properties
Cross-validated computational properties for SrTa4O11, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of SrTa4O11. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for SrTa4O11, 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. |
|---|---|---|---|---|---|
| — | — | 3.78 | 0.0000 | -3.248 | — |
| P6322 (No. 182) | hexagonal | 3.62 | 0.0000 | -3.168 | — |
| P6322 (No. 182) | hexagonal | 3.52 | 0.0000 | -9.905 | 7.78 |
| P6322 (No. 182) | hexagonal | — | — | — | 7.85 |
| P6322 (No. 182) | hexagonal | — | — | — | 7.61 |
| P6322 (No. 182) | hexagonal | — | — | — | 8.10 |
| P6322 (No. 182) | hexagonal | — | — | — | 7.77 |
Applications
Where SrTa4O11 is used.
Frequently Asked Questions
Common questions about SrTa4O11, answered from cross-validated data.
What is SrTa4O11?
SrTa4O11 is a thermodynamically stable, insulating perovskite oxide used in advanced materials research.
What is SrTa4O11 used for?
What is the band gap of SrTa4O11?
Is SrTa4O11 a metal, semiconductor, or insulator?
Is SrTa4O11 thermodynamically stable?
What is the crystal structure of SrTa4O11?
How many polymorphs of SrTa4O11 are known?
What elements does SrTa4O11 contain?
Where does the data for SrTa4O11 come from?
How It Compares
Within the perovskite oxides class.
Unlike the highly conductive or magnetic transition-metal perovskites such as LaNiO3 or LaMnO3, SrTa4O11 functions primarily as a stable insulator. While many class members like BaTiO3 are famous for their ferroelectric properties, SrTa4O11 is notable for its robust structural stability, positioning it as a distinct alternative to the more reactive or magnetic rare-earth-based perovskites like LaFeO3 or LaCoO3.
Related Compounds
Other Perovskite Oxides in the database.
Data sources & attribution
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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