BaSnO3
Barium stannate · BSO
Barium stannate is a stable, semiconducting perovskite oxide used in the development of advanced electronic and optoelectronic materials.
About Barium stannate
Barium stannate is a prominent member of the perovskite oxide family, characterized by its robust thermodynamic stability. Its semiconducting nature makes it a subject of significant interest for researchers exploring high-performance electronic and optoelectronic components.
Due to its structural reliability, this compound serves as a foundational material in solid-state physics. It is frequently investigated for its potential in thin-film applications and as a transparent conducting oxide, leveraging its unique electronic configuration within the perovskite lattice.
Key Properties
Cross-validated computational properties for Barium stannate, 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 BaSnO3. 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 BaSnO3, 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-3m (No. 221) | cubic | 0.58 | 0.0000 | -2.393 | — |
| Pm-3m (No. 221) | cubic | 0.58 | 0.0000 | -2.393 | — |
| Pm-3m (No. 221) | cubic | 0.37 | 0.0000 | -6.742 | 7.10 |
| — | — | 0.90 | 0.0001 | -2.443 | — |
| — | — | 1.03 | 0.0003 | -2.442 | — |
| — | — | 1.00 | 0.0004 | -2.442 | — |
| Imma (No. 74) | orthorhombic | 0.67 | 0.0006 | -6.741 | 6.86 |
| — | — | 0.88 | 0.0009 | -2.442 | — |
| — | — | 0.00 | 0.0012 | -2.441 | — |
| — | — | 1.13 | 0.0023 | -2.440 | — |
| — | — | 0.00 | 0.0025 | -2.440 | — |
| — | — | 0.91 | 0.0028 | -2.440 | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting BaSnO3.
Applications
Where Barium stannate is used.
Patent Landscape
1 patent reference BaSnO3 or close compositional variants.
| Patent | Title | Assignee | Granted |
|---|---|---|---|
| 11034590 | BaSnO3 thin flim and low-temperature preparation method therefor | — | — |
Frequently Asked Questions
Common questions about Barium stannate, answered from cross-validated data.
What is BaSnO3?
Barium stannate is a stable, semiconducting perovskite oxide used in the development of advanced electronic and optoelectronic materials.
What is BaSnO3 used for?
What is the band gap of BaSnO3?
Is BaSnO3 a metal, semiconductor, or insulator?
Is BaSnO3 thermodynamically stable?
What is the crystal structure of BaSnO3?
How many polymorphs of BaSnO3 are known?
How is BaSnO3 synthesized?
What elements does BaSnO3 contain?
Where does the data for BaSnO3 come from?
Related Research
How It Compares
Within the perovskite oxides class.
Within the diverse class of perovskite oxides, BaSnO3 distinguishes itself from magnetic or multiferroic members like LaMnO3 or BiFeO3 by its primary role as a stable, semiconducting oxide. Unlike the highly correlated electronic systems found in LaNiO3 or LaCoO3, this compound is valued for its relative simplicity and high mobility, positioning it as a distinct alternative to the more commonly utilized ferroelectric BaTiO3.
Related Compounds
Other Perovskite Oxides in the database.
Data sources & attribution
- 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)
- 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)
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