K2Ca3Si3O10
K2Ca3Si3O10 is a thermodynamically stable potassium calcium silicate characterized by its wide-gap insulating electronic properties.
About K2Ca3Si3O10
K2Ca3Si3O10 is a complex potassium calcium silicate that exists as a thermodynamically stable phase on the convex hull. Its electronic character is defined by a wide-gap insulating nature, making it a subject of interest for fundamental materials research into silicate frameworks. The compound exhibits significant structural diversity, with multiple reported configurations that highlight the flexibility of its atomic arrangement. As a stable inorganic silicate, it serves as a model system for understanding the interplay between alkali and alkaline earth cations within a rigid oxygen-silicon network. Its inherent stability suggests potential for applications where robust, insulating dielectric performance is required.
Key Properties
Cross-validated computational properties for K2Ca3Si3O10, 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 K2Ca3Si3O10, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 4.11 | 0.0000 | -7.318 | 2.89 |
| C2/c (No. 15) | monoclinic | 4.77 | 0.0096 | -7.308 | 2.98 |
| P-1 (No. 2) | — | — | — | — | — |
| C2/c (No. 15) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 1.51 |
Applications
Where K2Ca3Si3O10 is used.
Frequently Asked Questions
Common questions about K2Ca3Si3O10, answered from cross-validated data.
What is K2Ca3Si3O10?
K2Ca3Si3O10 is a thermodynamically stable potassium calcium silicate characterized by its wide-gap insulating electronic properties.
What is K2Ca3Si3O10 used for?
What is the band gap of K2Ca3Si3O10?
Is K2Ca3Si3O10 a metal, semiconductor, or insulator?
Is K2Ca3Si3O10 thermodynamically stable?
What is the crystal structure of K2Ca3Si3O10?
What is the density of K2Ca3Si3O10?
How many polymorphs of K2Ca3Si3O10 are known?
What elements does K2Ca3Si3O10 contain?
Where does the data for K2Ca3Si3O10 come from?
How It Compares
As a unique silicate phase, K2Ca3Si3O10 occupies a distinct position in the landscape of ternary and quaternary oxide materials. While it lacks direct structural siblings in this specific dataset, its stability relative to other complex silicates underscores its role as a representative example of how specific cation ratios can stabilize intricate crystalline architectures.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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