CaSnO3
calcium stannate · calcium tin trioxide
Calcium stannate is a stable, semiconducting perovskite oxide used in the development of advanced electronic ceramics and sensors.
About calcium stannate
CaSnO3 is a thermodynamically stable perovskite oxide that serves as a foundational material in solid-state chemistry. Its robust structural framework and semiconducting electronic character make it a reliable candidate for high-performance ceramic systems where thermal and chemical durability are paramount.
Due to its well-documented structural versatility, this compound is frequently investigated for its role in dielectric and sensing technologies. Its presence on the convex hull highlights its inherent stability, ensuring that it maintains integrity under various processing conditions required for modern device fabrication.
Key Properties
Cross-validated computational properties for calcium 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 CaSnO3. 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 CaSnO3, 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-3 (No. 148) | trigonal | 3.11 | 0.0000 | -2.459 | — |
| Pnma (No. 62) | orthorhombic | 2.33 | 0.0000 | -6.866 | 5.52 |
| — | — | 3.16 | 0.0031 | -2.543 | — |
| R-3 (No. 148) | trigonal | 2.92 | 0.0149 | -6.851 | 5.10 |
| — | — | 2.74 | 0.0163 | -2.530 | — |
| — | — | 2.75 | 0.0175 | -2.528 | — |
| — | — | 2.39 | 0.0441 | -2.502 | — |
| — | — | 2.76 | 0.0461 | -2.500 | — |
| — | — | 2.59 | 0.0510 | -2.495 | — |
| — | — | 2.57 | 0.0883 | -2.458 | — |
| — | — | 2.58 | 0.0928 | -2.453 | — |
| — | — | 2.37 | 0.0962 | -2.450 | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting CaSnO3.
Applications
Where calcium stannate is used.
Frequently Asked Questions
Common questions about calcium stannate, answered from cross-validated data.
What is CaSnO3?
Calcium stannate is a stable, semiconducting perovskite oxide used in the development of advanced electronic ceramics and sensors.
What is CaSnO3 used for?
What is the band gap of CaSnO3?
Is CaSnO3 a metal, semiconductor, or insulator?
Is CaSnO3 thermodynamically stable?
What is the crystal structure of CaSnO3?
What is the density of CaSnO3?
How many polymorphs of CaSnO3 are known?
How is CaSnO3 synthesized?
What elements does CaSnO3 contain?
Where does the data for CaSnO3 come from?
How It Compares
Within the perovskite oxides class.
Within the diverse family of perovskite oxides, CaSnO3 occupies a distinct niche compared to transition-metal-heavy counterparts like LaNiO3 or LaMnO3. While many of its siblings are prized for complex magnetic or metallic behaviors, calcium stannate is valued primarily for its stable, wide-ranging semiconducting utility, positioning it as a more chemically inert alternative to the highly reactive or sensitive systems like BiFeO3 or LaCoO3.
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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