Ba2CaMoO6
Ba2CaMoO6 is a stable, semiconducting complex oxide composed of barium, calcium, molybdenum, and oxygen.
About Ba2CaMoO6
Ba2CaMoO6 is a complex oxide characterized by its semiconducting electronic nature. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural configuration within its chemical system. Its stability makes it a compelling subject for researchers investigating the interplay between transition metal oxidation states and lattice geometry in oxide ceramics. The material is typically synthesized through solid-state reactions, where the precise arrangement of barium, calcium, and molybdenum ions dictates its functional properties. Its structural integrity under standard conditions suggests potential utility in applications requiring stable, semiconducting oxide frameworks.
Key Properties
Cross-validated computational properties for Ba2CaMoO6, 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 Ba2CaMoO6 is used.
Frequently Asked Questions
Common questions about Ba2CaMoO6, answered from cross-validated data.
What is Ba2CaMoO6?
Ba2CaMoO6 is a stable, semiconducting complex oxide composed of barium, calcium, molybdenum, and oxygen.
What is Ba2CaMoO6 used for?
What is the band gap of Ba2CaMoO6?
Is Ba2CaMoO6 a metal, semiconductor, or insulator?
Is Ba2CaMoO6 thermodynamically stable?
How many polymorphs of Ba2CaMoO6 are known?
What elements does Ba2CaMoO6 contain?
Where does the data for Ba2CaMoO6 come from?
How It Compares
As a thermodynamically stable compound, Ba2CaMoO6 serves as a foundational reference point for exploring the broader family of complex molybdenum-based double perovskites and related oxide structures.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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