CaSi2SnO6
CaSi2SnO6 is a metastable, insulating oxide compound containing calcium, silicon, and tin.
About CaSi2SnO6
CaSi2SnO6 is a complex inorganic compound composed of calcium, silicon, tin, and oxygen. As a wide-band-gap insulator, it exhibits electronic properties characteristic of materials that resist electrical conduction, making it a subject of interest for fundamental materials research.
Although it is classified as a metastable phase, its unique atomic arrangement allows for specific structural configurations. Understanding the stability and electronic nature of this compound helps researchers map the broader landscape of complex oxide materials.
Key Properties
Cross-validated computational properties for CaSi2SnO6, 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 CaSi2SnO6, 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. |
|---|---|---|---|---|---|
| Pbca (No. 61) | orthorhombic | 3.37 | 0.0770 | -7.610 | 3.77 |
| C2/c (No. 15) | monoclinic | 2.88 | 0.1106 | -7.577 | 3.76 |
| No. 0 | unknown | — | — | — | 0.59 |
| C2/c (No. 15) | — | — | — | — | — |
Applications
Where CaSi2SnO6 is used.
Frequently Asked Questions
Common questions about CaSi2SnO6, answered from cross-validated data.
What is CaSi2SnO6?
CaSi2SnO6 is a metastable, insulating oxide compound containing calcium, silicon, and tin.
What is CaSi2SnO6 used for?
What is the band gap of CaSi2SnO6?
Is CaSi2SnO6 a metal, semiconductor, or insulator?
Is CaSi2SnO6 thermodynamically stable?
What is the crystal structure of CaSi2SnO6?
What is the density of CaSi2SnO6?
How many polymorphs of CaSi2SnO6 are known?
What elements does CaSi2SnO6 contain?
Where does the data for CaSi2SnO6 come from?
How It Compares
As a singular entry in this structural family, CaSi2SnO6 serves as a primary reference point for exploring the influence of tin incorporation into silicate-based oxide frameworks. Its metastable nature distinguishes it from more common, highly stable mineral phases, highlighting the delicate balance of chemical bonding required to maintain its specific crystalline architecture.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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