Ca2Sn2O5
Ca2Sn2O5 is a semiconducting calcium stannate oxide that exhibits structural complexity within the perovskite family.
About Ca2Sn2O5
Ca2Sn2O5 is a complex perovskite oxide composed of calcium, tin, and oxygen. As a semiconducting material, it represents an interesting case study in the structural diversity of oxide ceramics, characterized by multiple reported configurations in crystallographic databases. While its thermodynamic status places it above the hull, suggesting potential metastability, it remains a subject of interest for researchers investigating the influence of cation arrangement on electronic behavior in stannate-based perovskites.
Key Properties
Cross-validated computational properties for Ca2Sn2O5, 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.
Reported Structures
Lowest-energy structures reported for Ca2Sn2O5, 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. |
|---|---|---|---|---|---|
| Pbam (No. 55) | orthorhombic | 1.16 | 0.1776 | -6.527 | 5.36 |
| Pbam (No. 55) | — | — | — | — | — |
| Pbam (No. 55) | Orthorhombic | — | — | — | 5.36 |
| Pbam (No. 55) | Orthorhombic | — | — | — | 5.66 |
| Pbam (No. 55) | Orthorhombic | — | — | — | 5.53 |
Applications
Where Ca2Sn2O5 is used.
Frequently Asked Questions
Common questions about Ca2Sn2O5, answered from cross-validated data.
What is Ca2Sn2O5?
Ca2Sn2O5 is a semiconducting calcium stannate oxide that exhibits structural complexity within the perovskite family.
What is Ca2Sn2O5 used for?
What is the band gap of Ca2Sn2O5?
Is Ca2Sn2O5 a metal, semiconductor, or insulator?
Is Ca2Sn2O5 thermodynamically stable?
What is the crystal structure of Ca2Sn2O5?
What is the density of Ca2Sn2O5?
How many polymorphs of Ca2Sn2O5 are known?
What elements does Ca2Sn2O5 contain?
Where does the data for Ca2Sn2O5 come from?
How It Compares
Within the perovskite oxides class.
Unlike the highly stable and widely utilized BaTiO3 or the robust multiferroic BiFeO3, Ca2Sn2O5 occupies a more precarious position in the perovskite landscape. While materials such as LaFeO3 and LaMnO3 are frequently studied for their magnetic and catalytic properties, Ca2Sn2O5 is distinguished by its tin-based framework, which offers a different electronic environment compared to the transition-metal-heavy siblings like LaNiO3 or LaCoO3.
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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