CaSnO2
CaSnO2 is a metastable semiconducting perovskite oxide used primarily in fundamental materials science research.
About CaSnO2
CaSnO2 is a semiconducting member of the perovskite oxide family, characterized by its complex structural arrangements. As a metastable phase, it represents a unique configuration within the oxide landscape, offering intriguing possibilities for materials scientists investigating non-equilibrium states in perovskites.
Its electronic nature makes it a subject of interest for researchers exploring thin-film synthesis and defect engineering. While it remains a specialized material compared to more common oxides, its existence across multiple structural databases highlights its significance in fundamental condensed matter studies.
Key Properties
Cross-validated computational properties for CaSnO2, 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 CaSnO2. 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 CaSnO2, 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. |
|---|---|---|---|---|---|
| C2/m (No. 12) | monoclinic | 0.00 | 0.1846 | -2.202 | — |
| P1 (No. 1) | triclinic | 0.00 | 0.1977 | -6.305 | 4.70 |
| P4mm (No. 99) | tetragonal | 1.44 | 0.2024 | -2.184 | — |
| P-1 (No. 2) | triclinic | 1.65 | 0.2257 | -6.277 | 3.84 |
| P-1 (No. 2) | triclinic | 1.73 | 0.2401 | -2.147 | — |
| P-1 (No. 2) | triclinic | 1.75 | 0.2402 | -2.147 | — |
| P-1 (No. 2) | triclinic | 0.47 | 0.2623 | -6.241 | 4.66 |
| — | — | 0.47 | 0.2795 | -2.133 | — |
| P1 (No. 1) | triclinic | 1.94 | 0.3059 | -6.197 | 4.10 |
| P1 (No. 1) | triclinic | — | — | — | 4.70 |
| P1 (No. 1) | triclinic | — | — | — | 4.81 |
| P4/mmm (No. 123) | tetragonal | — | — | — | 5.31 |
Applications
Where CaSnO2 is used.
Frequently Asked Questions
Common questions about CaSnO2, answered from cross-validated data.
What is CaSnO2?
CaSnO2 is a metastable semiconducting perovskite oxide used primarily in fundamental materials science research.
What is CaSnO2 used for?
What is the band gap of CaSnO2?
Is CaSnO2 a metal, semiconductor, or insulator?
Is CaSnO2 thermodynamically stable?
What is the crystal structure of CaSnO2?
How many polymorphs of CaSnO2 are known?
What elements does CaSnO2 contain?
Where does the data for CaSnO2 come from?
How It Compares
Within the perovskite oxides class.
Within the broad class of perovskite oxides, CaSnO2 occupies a distinct niche compared to highly stable, widely utilized members like BaTiO3 or the versatile rare-earth-based LaMnO3. Unlike the robust ferroelectric properties found in BiFeO3 or the catalytic activity of LaCoO3, CaSnO2 is defined by its metastability, positioning it as a specialized candidate for exploratory research rather than standard industrial deployment.
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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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