Ba2Bi3O8Y
Ba2Bi3O8Y is a semimetallic quaternary oxide containing barium, bismuth, oxygen, and yttrium that is currently categorized as a metastable phase.
About Ba2Bi3O8Y
Ba2Bi3O8Y is a complex quaternary oxide composed of barium, bismuth, oxygen, and yttrium. Its electronic character is defined as near-zero-gap, placing it in the semimetallic regime, which makes it a unique candidate for studies involving electronic transport properties.
From a thermodynamic perspective, this material is situated above the hull, suggesting that it is likely unstable under standard conditions. Despite this, it remains a notable subject within materials databases, with multiple reported structural configurations that invite further investigation into its synthesis and potential metastable phases.
Key Properties
Cross-validated computational properties for Ba2Bi3O8Y, 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 Ba2Bi3O8Y, 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/mmm (No. 123) | tetragonal | 0.09 | 0.2080 | -6.662 | 7.04 |
| — | — | — | — | — | 7.13 |
| — | — | — | — | — | — |
| — | — | — | — | — | 6.16 |
Applications
Where Ba2Bi3O8Y is used.
Frequently Asked Questions
Common questions about Ba2Bi3O8Y, answered from cross-validated data.
What is Ba2Bi3O8Y?
Ba2Bi3O8Y is a semimetallic quaternary oxide containing barium, bismuth, oxygen, and yttrium that is currently categorized as a metastable phase.
What is Ba2Bi3O8Y used for?
What is the band gap of Ba2Bi3O8Y?
Is Ba2Bi3O8Y a metal, semiconductor, or insulator?
Is Ba2Bi3O8Y thermodynamically stable?
What is the crystal structure of Ba2Bi3O8Y?
What is the density of Ba2Bi3O8Y?
How many polymorphs of Ba2Bi3O8Y are known?
What elements does Ba2Bi3O8Y contain?
Where does the data for Ba2Bi3O8Y come from?
How It Compares
As a quaternary oxide with a semimetallic nature, this compound represents a specialized niche in inorganic chemistry. Without direct structural siblings in this specific chemical family, it stands as an isolated case study for researchers exploring the boundaries of bismuth-based oxide stability and electronic behavior.
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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