Ba3Hf2O7
Ba3Hf2O7 is a stable, insulating oxide compound containing barium and hafnium.
About Ba3Hf2O7
Ba3Hf2O7 is a complex oxide composed of barium, hafnium, and oxygen. As a thermodynamically stable phase residing on the convex hull, it demonstrates robust structural integrity under standard conditions.
This material functions as a wide-band-gap insulator, making it an intriguing candidate for applications requiring high electrical resistivity and thermal stability. Its structural characteristics are well-documented across multiple crystallographic databases.
Key Properties
Cross-validated computational properties for Ba3Hf2O7, 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.
Applications
Where Ba3Hf2O7 is used.
Frequently Asked Questions
Common questions about Ba3Hf2O7, answered from cross-validated data.
What is Ba3Hf2O7?
Ba3Hf2O7 is a stable, insulating oxide compound containing barium and hafnium.
What is Ba3Hf2O7 used for?
What is the band gap of Ba3Hf2O7?
Is Ba3Hf2O7 a metal, semiconductor, or insulator?
Is Ba3Hf2O7 thermodynamically stable?
How many polymorphs of Ba3Hf2O7 are known?
What elements does Ba3Hf2O7 contain?
Where does the data for Ba3Hf2O7 come from?
How It Compares
As a distinct oxide phase, Ba3Hf2O7 represents a specialized composition within the broader landscape of barium-hafnium-oxygen materials. It stands out for its inherent thermodynamic stability, which distinguishes it from metastable phases that may require specific synthesis conditions to maintain their structure.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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