CaClO2
CaClO2 is a semiconducting, thermodynamically unstable calcium oxyhalide compound characterized by a variety of potential structural forms.
About CaClO2
CaClO2 is a calcium-based compound that exhibits semiconducting electronic properties. Its structural complexity is evidenced by multiple reported configurations across various databases, highlighting a diverse range of potential atomic arrangements for this stoichiometry. Due to its position above the thermodynamic hull, CaClO2 is considered an unstable phase under standard conditions. This metastability makes it a subject of interest for researchers investigating synthetic pathways and the limits of chemical stability in complex oxyhalide systems.
Key Properties
Cross-validated computational properties for CaClO2, 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 CaClO2, answered from cross-validated data.
What is CaClO2?
CaClO2 is a semiconducting, thermodynamically unstable calcium oxyhalide compound characterized by a variety of potential structural forms.
What is the band gap of CaClO2?
Is CaClO2 a metal, semiconductor, or insulator?
Is CaClO2 thermodynamically stable?
How many polymorphs of CaClO2 are known?
What elements does CaClO2 contain?
Where does the data for CaClO2 come from?
How It Compares
As a unique inorganic phase with no direct structural siblings in this specific classification, CaClO2 represents an isolated point in the chemical space of calcium-chlorine-oxygen systems, serving as a case study for metastable materials synthesis.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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