Ca2Sn3O8
Ca2Sn3O8 is a semiconducting calcium tin oxide that belongs to the perovskite class of materials.
About Ca2Sn3O8
Ca2Sn3O8 is a semiconducting member of the perovskite oxide family. Its electronic properties and structural configuration make it a subject of interest for researchers investigating complex oxide systems that balance stability with functional performance. Being near-hull stable, this compound is considered a promising candidate for experimental synthesis and characterization in solid-state chemistry. It represents a specific stoichiometry within the broader landscape of tin-based perovskites, which are increasingly studied for their potential in electronic and optoelectronic devices. The material's structural flexibility allows it to fit into the diverse array of perovskite-related frameworks that underpin modern ceramic science.
Key Properties
Cross-validated computational properties for Ca2Sn3O8, 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 Ca2Sn3O8. 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 Ca2Sn3O8, 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. |
|---|---|---|---|---|---|
| — | — | 2.76 | 0.0000 | -2.412 | — |
| C2/m (No. 12) | monoclinic | 2.43 | 0.0045 | -6.833 | 5.17 |
| C2/m (No. 12) | monoclinic | 2.60 | 0.0132 | -2.293 | — |
| P63mc (No. 186) | hexagonal | 2.06 | 0.0576 | -6.780 | 4.89 |
| C2/m (No. 12) | monoclinic | — | — | — | 5.17 |
| P63mc (No. 186) | hexagonal | — | — | — | 5.04 |
| C2/m (No. 12) | monoclinic | — | — | — | 5.02 |
| P63mc (No. 186) | hexagonal | — | — | — | 4.89 |
| P63mc (No. 186) | hexagonal | — | — | — | 5.21 |
| C2/m (No. 12) | monoclinic | — | — | — | 5.37 |
Applications
Where Ca2Sn3O8 is used.
Frequently Asked Questions
Common questions about Ca2Sn3O8, answered from cross-validated data.
What is Ca2Sn3O8?
Ca2Sn3O8 is a semiconducting calcium tin oxide that belongs to the perovskite class of materials.
What is Ca2Sn3O8 used for?
What is the band gap of Ca2Sn3O8?
Is Ca2Sn3O8 a metal, semiconductor, or insulator?
Is Ca2Sn3O8 thermodynamically stable?
What is the crystal structure of Ca2Sn3O8?
What is the density of Ca2Sn3O8?
How many polymorphs of Ca2Sn3O8 are known?
What elements does Ca2Sn3O8 contain?
Where does the data for Ca2Sn3O8 come from?
How It Compares
Within the perovskite oxides class.
Unlike the more widely characterized perovskites such as BaTiO3 or the magnetic transition-metal oxides like LaMnO3 and LaFeO3, Ca2Sn3O8 occupies a niche space defined by its unique calcium-tin composition. While materials like LaAlO3 are frequently used as stable substrates, Ca2Sn3O8 offers a distinct electronic profile that differentiates it from the highly metallic LaNiO3 or the multiferroic BiFeO3, positioning it as an intriguing alternative for specialized semiconducting applications.
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)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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