B2Ba2Co2H2O18P4
B2Ba2Co2H2O18P4 is a metastable, semiconducting transition-metal phosphate containing boron, barium, cobalt, and phosphorus.
About B2Ba2Co2H2O18P4
B2Ba2Co2H2O18P4 is a complex transition-metal phosphate characterized by its semiconducting electronic nature. As a metastable phase, it represents a specialized structural arrangement within the broader family of phosphate-based materials, offering unique insights into the coordination environments of cobalt and boron in oxygen-rich frameworks.
This compound is of significant interest in fundamental materials science, where researchers investigate its structural stability and electronic behavior. Its composition, incorporating barium and boron alongside cobalt and phosphorus, positions it as a distinct candidate for studying the interplay between transition metals and complex polyanionic networks.
Key Properties
Cross-validated computational properties for B2Ba2Co2H2O18P4, 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 B2Ba2Co2H2O18P4, answered from cross-validated data.
What is B2Ba2Co2H2O18P4?
B2Ba2Co2H2O18P4 is a metastable, semiconducting transition-metal phosphate containing boron, barium, cobalt, and phosphorus.
What is the band gap of B2Ba2Co2H2O18P4?
Is B2Ba2Co2H2O18P4 a metal, semiconductor, or insulator?
Is B2Ba2Co2H2O18P4 thermodynamically stable?
How many polymorphs of B2Ba2Co2H2O18P4 are known?
What elements does B2Ba2Co2H2O18P4 contain?
Where does the data for B2Ba2Co2H2O18P4 come from?
How It Compares
Within the transition-metal phosphates class.
Within the diverse class of transition-metal phosphates, B2Ba2Co2H2O18P4 occupies a niche structural space compared to the well-known olivine-structured battery materials like LiCoPO4 or LiFePO4. While those siblings are widely utilized for their electrochemical performance, this compound is distinguished by its more complex, hydrated, and boron-containing framework, reflecting a different synthetic and structural paradigm than the simpler binary or ternary phosphates like CoPO4 or FePO4.
Related Compounds
Other Transition-Metal Phosphates in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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