C3H6Ca3O12
C3H6Ca3O12 is a stable, insulating calcium-based compound that serves as a subject for structural and synthesis research.
About C3H6Ca3O12
C3H6Ca3O12 is a complex inorganic compound composed of carbon, calcium, hydrogen, and oxygen. It functions as a wide-gap insulator, characterized by its electronic structure that limits electrical conductivity under standard conditions.
This material is recognized for its proximity to the thermodynamic hull, indicating that it is a stable candidate for experimental synthesis. Its structural configuration is of interest for researchers investigating the stability of calcium-based organic-inorganic hybrid frameworks.
Key Properties
Cross-validated computational properties for C3H6Ca3O12, 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.
Applications
Where C3H6Ca3O12 is used.
Frequently Asked Questions
Common questions about C3H6Ca3O12, answered from cross-validated data.
What is C3H6Ca3O12?
C3H6Ca3O12 is a stable, insulating calcium-based compound that serves as a subject for structural and synthesis research.
What is C3H6Ca3O12 used for?
What is the band gap of C3H6Ca3O12?
Is C3H6Ca3O12 a metal, semiconductor, or insulator?
Is C3H6Ca3O12 thermodynamically stable?
How many polymorphs of C3H6Ca3O12 are known?
What elements does C3H6Ca3O12 contain?
Where does the data for C3H6Ca3O12 come from?
How It Compares
As a unique entry in this structural space, C3H6Ca3O12 serves as a foundational reference point for understanding the stability of calcium-based polyatomic compounds. It represents a specific stoichiometry that provides insights into the potential for forming complex insulating solids within this chemical family.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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