Ba2CrNbO6
Ba2CrNbO6 is a thermodynamically stable, semiconducting double perovskite oxide investigated as a lead-free alternative for piezoelectric applications.
About Ba2CrNbO6
Ba2CrNbO6 is a complex double perovskite oxide that stands out for its thermodynamic stability. As a member of the lead-free piezoelectric family, it offers a sustainable alternative to traditional materials containing toxic heavy metals, leveraging its specific structural arrangement to potentially exhibit functional polarization properties.
This semiconducting compound is a subject of interest for researchers looking to integrate oxide-based electronics into next-generation devices. Its position on the convex hull suggests a robust structural integrity, making it a reliable candidate for experimental synthesis and characterization in the search for high-performance, environmentally friendly electroceramics.
Key Properties
Cross-validated computational properties for Ba2CrNbO6, 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.
Reported Structures
Lowest-energy structures reported for Ba2CrNbO6, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| P63/mmc (No. 194) | hexagonal | 1.58 | 0.0000 | -8.384 | 6.23 |
| P63/mmc (No. 194) | — | — | — | — | — |
| — | — | — | — | — | 4.68 |
Applications
Where Ba2CrNbO6 is used.
Frequently Asked Questions
Common questions about Ba2CrNbO6, answered from cross-validated data.
What is Ba2CrNbO6?
Ba2CrNbO6 is a thermodynamically stable, semiconducting double perovskite oxide investigated as a lead-free alternative for piezoelectric applications.
What is Ba2CrNbO6 used for?
What is the band gap of Ba2CrNbO6?
Is Ba2CrNbO6 a metal, semiconductor, or insulator?
Is Ba2CrNbO6 thermodynamically stable?
What is the crystal structure of Ba2CrNbO6?
What is the density of Ba2CrNbO6?
How many polymorphs of Ba2CrNbO6 are known?
What elements does Ba2CrNbO6 contain?
Where does the data for Ba2CrNbO6 come from?
How It Compares
Within the lead-free piezoelectrics class.
While BaTiO3 remains the most widely studied benchmark for piezoelectric performance, Ba2CrNbO6 offers a distinct chemical composition that avoids the environmental concerns associated with lead-based systems. Unlike the simple perovskite structures of NaNbO3 or KTaO3, this compound features a double perovskite lattice, which provides additional degrees of freedom for tuning electronic and electromechanical responses through cation ordering.
Related Compounds
Other Lead-Free Piezoelectrics in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
Analyze Ba2CrNbO6 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →