BaSnO3
Barium stannate · BSO
Barium stannate is a ceramic oxide material known for its perovskite crystal structure. It is primarily utilized in advanced electronics and research settings due to its favorable electrical properties and stability.
Overview
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.
0.37–0.67 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
10
3 databases, 2 space groups
Crystallography
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 | 0.37 | 0.0000 | -6.742 | 7.10 |
| Imma (No. 74) | orthorhombic | 0.67 | 0.0006 | -6.741 | 6.86 |
| Pm-3m (No. 221) | — | — | — | — | — |
| Pm-3m (No. 221) | — | — | — | — | — |
| Pm-3m (No. 221) | Cubic | — | — | — | 6.87 |
| Imma (No. 74) | Orthorhombic | — | — | — | 6.86 |
| Pm-3m (No. 221) | Cubic | — | — | — | 7.41 |
| Pm-3m (No. 221) | Cubic | — | — | — | 7.14 |
| Imma (No. 74) | Orthorhombic | — | — | — | 7.41 |
| Imma (No. 74) | Orthorhombic | — | — | — | 7.14 |
Synthesis
Synthesis Routes
Literature-extracted synthesis procedures targeting BaSnO3.
Sol-Gel
Procedure available · ceder_solid_state
Sol-Gel
Procedure available · ceder_solid_state
Sol-Gel
Procedure available · ceder_solid_state
Sol-Gel
Procedure available · ceder_solid_state
Sol-Gel
Procedure available · ceder_solid_state
Uses
Applications
Where Barium stannate is used.
Gas sensorsTransparent conducting oxidesCapacitorsPhotocatalysis
Reference
Frequently Asked Questions
Common questions about Barium stannate, answered from cross-validated data.
What is BaSnO3?
Barium stannate is a ceramic oxide material known for its perovskite crystal structure. It is primarily utilized in advanced electronics and research settings due to its favorable electrical properties and stability.
More questions
What is BaSnO3 used for?
Barium stannate (BaSnO3) is used in gas sensors, transparent conducting oxides, capacitors, and photocatalysis.
What is the band gap of BaSnO3?
Barium stannate (BaSnO3) has a DFT-computed band gap of 0.37–0.67 eV across 10 reported structures.
Is BaSnO3 a metal, semiconductor, or insulator?
With a band gap up to 0.67 eV it is a semiconductor.
Is BaSnO3 thermodynamically stable?
Yes — Barium stannate (BaSnO3) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of BaSnO3?
The lowest-energy reported polymorph of Barium stannate (BaSnO3) is cubic symmetry, space group Pm-3m (No. 221).
What is the density of BaSnO3?
The computed density of the ground-state structure of Barium stannate (BaSnO3) is 7.10 g/cm³.
How many polymorphs of BaSnO3 are known?
10 structures of BaSnO3 are reported across 3 databases, spanning 2 distinct space groups.
How is BaSnO3 synthesized?
Literature-reported routes for BaSnO3 include sol-gel (5 procedures documented).
What elements does BaSnO3 contain?
Barium stannate (BaSnO3) contains Ba, O, and Sn (3 elements).
Where does the data for BaSnO3 come from?
BaSnO3 data is cross-referenced from materials_project, jarvis, mpaloe.
Explore
Related Compounds
Other Perovskite Oxides in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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