Ba8Bi4O17
Ba8Bi4O17 is a semiconducting barium bismuth oxide that is considered a promising target for experimental synthesis due to its favorable thermodynamic stability.
About Ba8Bi4O17
Ba8Bi4O17 is a complex oxide featuring barium and bismuth, characterized by its semiconducting electronic nature. Its structural configuration suggests a unique arrangement within the oxide landscape, reflecting the diverse coordination chemistry possible between alkaline earth metals and heavy p-block elements.
As a near-hull material, this compound occupies a favorable thermodynamic position that suggests it is likely synthesizable under controlled experimental conditions. The presence of multiple reported structures across databases underscores its significance as a subject of ongoing investigation in materials science.
Key Properties
Cross-validated computational properties for Ba8Bi4O17, 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 Ba8Bi4O17, 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. |
|---|---|---|---|---|---|
| Cm (No. 8) | monoclinic | 0.91 | 0.0069 | -21.023 | 6.91 |
| Cm (No. 8) | monoclinic | 1.03 | 0.0091 | -6.318 | 6.63 |
| P1 (No. 1) | triclinic | 0.86 | 0.0205 | -6.306 | 6.45 |
| I4mm (No. 107) | tetragonal | 1.33 | 0.0227 | -6.304 | 6.47 |
| Cm (No. 8) | Monoclinic | — | — | — | 6.63 |
| — | — | — | — | — | 5.54 |
| Cm (No. 8) | Monoclinic | — | — | — | 7.06 |
| Cm (No. 8) | Monoclinic | — | — | — | 6.87 |
Applications
Where Ba8Bi4O17 is used.
Frequently Asked Questions
Common questions about Ba8Bi4O17, answered from cross-validated data.
What is Ba8Bi4O17?
Ba8Bi4O17 is a semiconducting barium bismuth oxide that is considered a promising target for experimental synthesis due to its favorable thermodynamic stability.
What is Ba8Bi4O17 used for?
What is the band gap of Ba8Bi4O17?
Is Ba8Bi4O17 a metal, semiconductor, or insulator?
Is Ba8Bi4O17 thermodynamically stable?
What is the crystal structure of Ba8Bi4O17?
What is the density of Ba8Bi4O17?
How many polymorphs of Ba8Bi4O17 are known?
What elements does Ba8Bi4O17 contain?
Where does the data for Ba8Bi4O17 come from?
How It Compares
As a unique oxide composition, Ba8Bi4O17 represents a specialized entry in the broader family of barium-bismuth-based materials. While it lacks direct structural siblings in this context, its stability profile and semiconducting nature distinguish it as a distinct candidate for functional material development compared to more common, highly stable binary or ternary oxides.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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