Ca3SiBr2
Ca3SiBr2 is a metastable semiconducting material composed of calcium, silicon, and bromine atoms.
About Ca3SiBr2
Ca3SiBr2 is a complex inorganic compound composed of calcium, silicon, and bromine. As a semiconducting material, it exhibits electronic characteristics that make it an intriguing subject for fundamental materials science research, particularly in the exploration of new halide-based frameworks.
This compound is classified as metastable, suggesting that its synthesis and preservation require specific thermodynamic conditions. With dozens of reported structures across various databases, it represents a significant point of interest for researchers mapping the structural landscape of ternary calcium-silicon-bromine systems.
Key Properties
Cross-validated computational properties for Ca3SiBr2, 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.
Frequently Asked Questions
Common questions about Ca3SiBr2, answered from cross-validated data.
What is Ca3SiBr2?
Ca3SiBr2 is a metastable semiconducting material composed of calcium, silicon, and bromine atoms.
What is the band gap of Ca3SiBr2?
Is Ca3SiBr2 a metal, semiconductor, or insulator?
Is Ca3SiBr2 thermodynamically stable?
How many polymorphs of Ca3SiBr2 are known?
What elements does Ca3SiBr2 contain?
Where does the data for Ca3SiBr2 come from?
How It Compares
As a unique ternary compound, Ca3SiBr2 serves as a specialized entry in the broader landscape of calcium-based halide semiconductors, representing a distinct structural configuration that does not currently have closely related siblings in its immediate chemical class.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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