BiO3P
BiO3P is a stable, insulating bismuth phosphate compound used in fundamental materials research.
About BiO3P
BiO3P is a bismuth-based inorganic compound that exhibits the characteristics of a wide-band-gap insulator. Its electronic structure suggests high resistance to electrical conduction, making it a subject of interest for fundamental materials science studies.
This material is recognized for being thermodynamically stable, occupying a position on the convex hull. This stability indicates a robust atomic arrangement that is highly favorable under standard conditions, providing a reliable baseline for further experimental investigation.
Key Properties
Cross-validated computational properties for BiO3P, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of BiO3P. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Applications
Where BiO3P is used.
Frequently Asked Questions
Common questions about BiO3P, answered from cross-validated data.
What is BiO3P?
BiO3P is a stable, insulating bismuth phosphate compound used in fundamental materials research.
What is BiO3P used for?
What is the band gap of BiO3P?
Is BiO3P a metal, semiconductor, or insulator?
Is BiO3P thermodynamically stable?
How many polymorphs of BiO3P are known?
What elements does BiO3P contain?
Where does the data for BiO3P come from?
How It Compares
As a stable member of the bismuth-oxygen-phosphorus system, BiO3P serves as a foundational reference point for understanding the structural diversity of complex bismuth phosphates. Its existence on the convex hull highlights its significance as a preferred phase within its chemical family.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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