Ba3P4O13
Ba3P4O13 is a thermodynamically stable, insulating barium phosphate compound characterized by a robust structural framework.
About Ba3P4O13
Ba3P4O13 is a complex phosphate compound composed of barium, phosphorus, and oxygen. As a thermodynamically stable phase located on the convex hull, it exhibits robust structural integrity, making it a reliable candidate for fundamental research into inorganic phosphate frameworks. Its electronic character is defined as a wide-gap insulator, which suggests potential utility in applications requiring stable, non-conductive dielectric materials. The compound has been well-characterized across multiple databases, reflecting significant interest in its structural diversity and chemical behavior.
Key Properties
Cross-validated computational properties for Ba3P4O13, 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.
Synthesis Routes
Literature-extracted synthesis procedures targeting Ba3P4O13.
Applications
Where Ba3P4O13 is used.
Frequently Asked Questions
Common questions about Ba3P4O13, answered from cross-validated data.
What is Ba3P4O13?
Ba3P4O13 is a thermodynamically stable, insulating barium phosphate compound characterized by a robust structural framework.
What is Ba3P4O13 used for?
What is the band gap of Ba3P4O13?
Is Ba3P4O13 a metal, semiconductor, or insulator?
Is Ba3P4O13 thermodynamically stable?
How many polymorphs of Ba3P4O13 are known?
How is Ba3P4O13 synthesized?
What elements does Ba3P4O13 contain?
Where does the data for Ba3P4O13 come from?
How It Compares
As a thermodynamically stable phosphate, Ba3P4O13 occupies a distinct position within the broader landscape of barium-based inorganic compounds. While it lacks direct structural siblings in this specific dataset, its stability relative to other complex oxides highlights its importance as a benchmark for understanding the phase behavior of alkaline earth metal phosphates.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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