Ca4O18Pb2Si6
Ca4O18Pb2Si6 is a complex, wide-gap insulating silicate compound that is considered a viable candidate for synthesis due to its favorable thermodynamic stability.
About Ca4O18Pb2Si6
Ca4O18Pb2Si6 is a complex silicate compound containing calcium and lead. As a wide-gap insulator, it exhibits electronic properties characteristic of stable dielectric materials, making it a subject of interest for fundamental solid-state studies.
Its position near the thermodynamic hull suggests that it is a viable candidate for experimental synthesis. The compound represents a unique arrangement of its constituent elements, providing researchers with a distinct structural framework for investigating ionic interactions in multi-component oxides.
Key Properties
Cross-validated computational properties for Ca4O18Pb2Si6, 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 Ca4O18Pb2Si6, 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 | 4.38 | 0.0016 | -7.731 | 4.20 |
| No. 0 | unknown | — | — | — | 2.16 |
| P-1 (No. 2) | — | — | — | — | — |
Applications
Where Ca4O18Pb2Si6 is used.
Frequently Asked Questions
Common questions about Ca4O18Pb2Si6, answered from cross-validated data.
What is Ca4O18Pb2Si6?
Ca4O18Pb2Si6 is a complex, wide-gap insulating silicate compound that is considered a viable candidate for synthesis due to its favorable thermodynamic stability.
What is Ca4O18Pb2Si6 used for?
What is the band gap of Ca4O18Pb2Si6?
Is Ca4O18Pb2Si6 a metal, semiconductor, or insulator?
Is Ca4O18Pb2Si6 thermodynamically stable?
What is the crystal structure of Ca4O18Pb2Si6?
What is the density of Ca4O18Pb2Si6?
How many polymorphs of Ca4O18Pb2Si6 are known?
What elements does Ca4O18Pb2Si6 contain?
Where does the data for Ca4O18Pb2Si6 come from?
How It Compares
As a specialized silicate, Ca4O18Pb2Si6 occupies a niche position in materials science. While many simple silicates are well-characterized, this complex lead-calcium variant offers a unique structural complexity that distinguishes it from more common, simpler mineral-like phases.
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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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