Ba2Dy4O10Pd2
Ba2Dy4O10Pd2 is a semiconducting quaternary oxide containing barium, dysprosium, and palladium that is predicted to be synthesizable.
About Ba2Dy4O10Pd2
Ba2Dy4O10Pd2 is a complex quaternary oxide that integrates rare-earth dysprosium with barium and palladium. Its semiconducting electronic character suggests potential utility in specialized electronic or catalytic applications where precise charge transport is required.
As a near-hull compound, it is considered a promising candidate for experimental synthesis. The structural data available for this phase highlights its stability and potential for integration into advanced inorganic material frameworks.
Key Properties
Cross-validated computational properties for Ba2Dy4O10Pd2, 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 Ba2Dy4O10Pd2, 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. |
|---|---|---|---|---|---|
| P4/mbm (No. 127) | tetragonal | 1.79 | 0.0120 | -7.625 | 8.40 |
| — | — | — | — | — | 8.18 |
| P4/mbm (No. 127) | — | — | — | — | — |
Applications
Where Ba2Dy4O10Pd2 is used.
Frequently Asked Questions
Common questions about Ba2Dy4O10Pd2, answered from cross-validated data.
What is Ba2Dy4O10Pd2?
Ba2Dy4O10Pd2 is a semiconducting quaternary oxide containing barium, dysprosium, and palladium that is predicted to be synthesizable.
What is Ba2Dy4O10Pd2 used for?
What is the band gap of Ba2Dy4O10Pd2?
Is Ba2Dy4O10Pd2 a metal, semiconductor, or insulator?
Is Ba2Dy4O10Pd2 thermodynamically stable?
What is the crystal structure of Ba2Dy4O10Pd2?
What is the density of Ba2Dy4O10Pd2?
How many polymorphs of Ba2Dy4O10Pd2 are known?
What elements does Ba2Dy4O10Pd2 contain?
Where does the data for Ba2Dy4O10Pd2 come from?
How It Compares
As a unique quaternary oxide, Ba2Dy4O10Pd2 represents an emerging class of complex metal oxides. Unlike simpler binary or ternary oxides, this compound leverages the interplay between the heavy rare-earth element dysprosium and the transition metal palladium to achieve its distinct semiconducting properties.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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