Ba2In1P1
Ba2In1P1 is a semiconducting ternary phosphide that is considered a promising candidate for experimental synthesis due to its favorable thermodynamic stability.
About Ba2In1P1
Ba2In1P1 is a ternary phosphide composed of barium, indium, and phosphorus. As a semiconducting material, it occupies a unique position in solid-state chemistry, offering potential for specialized electronic functions where precise band engineering is required.
This compound is characterized by its near-hull thermodynamic stability, suggesting it is a viable target for experimental synthesis. Its structural diversity, evidenced by numerous reported configurations, highlights its flexibility as a candidate for materials discovery and fundamental research.
Key Properties
Cross-validated computational properties for Ba2In1P1, aggregated across 2 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 Ba2In1P1 is used.
Frequently Asked Questions
Common questions about Ba2In1P1, answered from cross-validated data.
What is Ba2In1P1?
Ba2In1P1 is a semiconducting ternary phosphide that is considered a promising candidate for experimental synthesis due to its favorable thermodynamic stability.
What is Ba2In1P1 used for?
What is the band gap of Ba2In1P1?
Is Ba2In1P1 a metal, semiconductor, or insulator?
Is Ba2In1P1 thermodynamically stable?
How many polymorphs of Ba2In1P1 are known?
What elements does Ba2In1P1 contain?
Where does the data for Ba2In1P1 come from?
How It Compares
As a distinct ternary phosphide, Ba2In1P1 represents a specific point in the chemical space of alkaline-earth indium pnictides. While it currently stands as a unique entry in this study, its semiconducting nature and favorable stability profile position it as a foundational example for exploring the broader electronic properties of barium-based pnictide systems.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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