B8Bi8O28Zn4
B8Bi8O28Zn4 is a thermodynamically stable, semiconducting quaternary oxide composed of boron, bismuth, oxygen, and zinc.
About B8Bi8O28Zn4
B8Bi8O28Zn4 is a complex quaternary oxide that exhibits semiconducting electronic properties. Its position on the convex hull indicates that it is a thermodynamically stable phase, making it a robust candidate for materials science investigations. The material features a sophisticated arrangement of boron, bismuth, oxygen, and zinc atoms, contributing to its distinct structural profile.
Given its electronic character and chemical composition, this compound is of interest for applications requiring stable semiconducting oxides. The presence of multiple reported structures across various databases highlights its significance as a subject of ongoing structural characterization and potential functional development.
Key Properties
Cross-validated computational properties for B8Bi8O28Zn4, 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 B8Bi8O28Zn4, 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. |
|---|---|---|---|---|---|
| Pba2 (No. 32) | orthorhombic | 2.69 | 0.0000 | -6.961 | 7.04 |
| Pba2 (No. 32) | — | — | — | — | — |
| Pba2 (No. 32) | — | — | — | — | — |
| Pba2 (No. 32) | — | — | — | — | — |
| — | — | — | — | — | 6.80 |
Applications
Where B8Bi8O28Zn4 is used.
Frequently Asked Questions
Common questions about B8Bi8O28Zn4, answered from cross-validated data.
What is B8Bi8O28Zn4?
B8Bi8O28Zn4 is a thermodynamically stable, semiconducting quaternary oxide composed of boron, bismuth, oxygen, and zinc.
What is B8Bi8O28Zn4 used for?
What is the band gap of B8Bi8O28Zn4?
Is B8Bi8O28Zn4 a metal, semiconductor, or insulator?
Is B8Bi8O28Zn4 thermodynamically stable?
What is the crystal structure of B8Bi8O28Zn4?
What is the density of B8Bi8O28Zn4?
How many polymorphs of B8Bi8O28Zn4 are known?
What elements does B8Bi8O28Zn4 contain?
Where does the data for B8Bi8O28Zn4 come from?
How It Compares
As a unique quaternary oxide, B8Bi8O28Zn4 represents a specialized composition within the broader landscape of complex metal oxides. While it does not share its specific stoichiometry with common binary or ternary counterparts, its stability and semiconducting nature position it as a valuable reference point for exploring the interplay between heavy bismuth cations and lighter boron-zinc frameworks in solid-state chemistry.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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