Ba3CaO4
Ba3CaO4 is a semiconducting ternary oxide of barium and calcium that exhibits metastable characteristics.
About Ba3CaO4
Ba3CaO4 is a complex oxide featuring barium and calcium. As a semiconducting material, it represents a specialized chemical system that has been the subject of multiple structural investigations across various materials databases. Its electronic properties suggest potential for niche functional applications in advanced materials science research. Because it exists above the thermodynamic hull, this compound is considered metastable, which makes it a compelling subject for studies regarding phase stability and synthesis pathways. Understanding its structural formation is critical for researchers investigating the limits of alkaline earth oxide configurations.
Key Properties
Cross-validated computational properties for Ba3CaO4, aggregated across 4 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 Ba3CaO4 is used.
Frequently Asked Questions
Common questions about Ba3CaO4, answered from cross-validated data.
What is Ba3CaO4?
Ba3CaO4 is a semiconducting ternary oxide of barium and calcium that exhibits metastable characteristics.
What is Ba3CaO4 used for?
What is the band gap of Ba3CaO4?
Is Ba3CaO4 a metal, semiconductor, or insulator?
Is Ba3CaO4 thermodynamically stable?
How many polymorphs of Ba3CaO4 are known?
What elements does Ba3CaO4 contain?
Where does the data for Ba3CaO4 come from?
How It Compares
As a unique oxide composition, Ba3CaO4 serves as an important entry point for studying the interplay between large barium cations and smaller calcium ions in an oxygen-coordinated lattice. While it does not have direct structural siblings in this specific dataset, it functions as a representative example of the complex phase space found in ternary alkaline earth oxides, where structural diversity is driven by the specific stoichiometry of the metal components.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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