BaCoDy2O5
BaCoDy2O5 is a semiconducting complex oxide containing barium, cobalt, and dysprosium that is considered potentially synthesizable.
About BaCoDy2O5
BaCoDy2O5 is a complex oxide composed of barium, cobalt, dysprosium, and oxygen. Its electronic character is defined as semiconducting, making it a subject of interest for researchers investigating functional materials with tunable charge transport properties.
As a near-hull compound, it occupies a favorable position in thermodynamic space, suggesting that it is likely synthesizable under appropriate experimental conditions. The existence of multiple reported structures across databases highlights its structural versatility and potential for further investigation in solid-state chemistry.
Key Properties
Cross-validated computational properties for BaCoDy2O5, 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 BaCoDy2O5, 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. |
|---|---|---|---|---|---|
| Immm (No. 71) | orthorhombic | 1.39 | 0.0037 | -7.925 | 8.15 |
| Pnma (No. 62) | orthorhombic | 1.27 | 0.0711 | -7.857 | 8.15 |
| — | — | — | — | — | 7.83 |
| — | — | — | — | — | — |
Applications
Where BaCoDy2O5 is used.
Frequently Asked Questions
Common questions about BaCoDy2O5, answered from cross-validated data.
What is BaCoDy2O5?
BaCoDy2O5 is a semiconducting complex oxide containing barium, cobalt, and dysprosium that is considered potentially synthesizable.
What is BaCoDy2O5 used for?
What is the band gap of BaCoDy2O5?
Is BaCoDy2O5 a metal, semiconductor, or insulator?
Is BaCoDy2O5 thermodynamically stable?
What is the crystal structure of BaCoDy2O5?
What is the density of BaCoDy2O5?
How many polymorphs of BaCoDy2O5 are known?
What elements does BaCoDy2O5 contain?
Where does the data for BaCoDy2O5 come from?
How It Compares
As a unique member of the complex oxide family, BaCoDy2O5 serves as a specialized example of how incorporating rare-earth elements like dysprosium alongside transition metals can influence the electronic behavior of a crystal lattice.
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).
- alexandria — Data from alexandria.
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