Ca8Cl8O12Si4
Ca8Cl8O12Si4 is a wide-gap insulating inorganic compound that is likely synthesizable due to its favorable thermodynamic stability.
About Ca8Cl8O12Si4
Ca8Cl8O12Si4 is a complex inorganic compound composed of calcium, chlorine, oxygen, and silicon. Its electronic structure is characterized as a wide-gap insulator, making it an interesting subject for studies involving dielectric or optical properties in insulating materials.
This material is recognized for its near-hull thermodynamic stability, suggesting that it is likely synthesizable under appropriate experimental conditions. With multiple reported structures across databases, it serves as a valuable entry for researchers exploring the structural diversity of complex silicates.
Key Properties
Cross-validated computational properties for Ca8Cl8O12Si4, 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 Ca8Cl8O12Si4, 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. |
|---|---|---|---|---|---|
| I4 (No. 79) | tetragonal | 5.10 | 0.0168 | -6.687 | 2.73 |
| I4 (No. 79) | — | — | — | — | — |
| — | — | — | — | — | 2.44 |
Applications
Where Ca8Cl8O12Si4 is used.
Frequently Asked Questions
Common questions about Ca8Cl8O12Si4, answered from cross-validated data.
What is Ca8Cl8O12Si4?
Ca8Cl8O12Si4 is a wide-gap insulating inorganic compound that is likely synthesizable due to its favorable thermodynamic stability.
What is Ca8Cl8O12Si4 used for?
What is the band gap of Ca8Cl8O12Si4?
Is Ca8Cl8O12Si4 a metal, semiconductor, or insulator?
Is Ca8Cl8O12Si4 thermodynamically stable?
What is the crystal structure of Ca8Cl8O12Si4?
What is the density of Ca8Cl8O12Si4?
How many polymorphs of Ca8Cl8O12Si4 are known?
What elements does Ca8Cl8O12Si4 contain?
Where does the data for Ca8Cl8O12Si4 come from?
How It Compares
As a unique inorganic structure, Ca8Cl8O12Si4 occupies a specialized niche within its chemical family. While it shares elemental components with common silicate minerals, its specific stoichiometry and insulating nature distinguish it as a distinct phase that warrants further investigation for potential specialized applications.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
Analyze Ca8Cl8O12Si4 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →