ZnBiO3
ZnBiO3 is a metastable semiconducting oxide utilized in advanced catalytic research.
About ZnBiO3
ZnBiO3 is a semiconducting oxide that belongs to the complex family of spinel-related materials. As a metastable compound, it occupies a unique position in solid-state chemistry, offering distinct structural configurations that are of significant interest for catalytic research and material design.
Its electronic character makes it a candidate for processes requiring charge transport, while its structural diversity is supported by multiple reported phases. This material is primarily investigated for its potential to facilitate chemical transformations where traditional, more stable oxides may be less effective.
Key Properties
Cross-validated computational properties for ZnBiO3, 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 ZnBiO3, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 0.88 | 0.0806 | -5.510 | 8.05 |
| Pmn21 (No. 31) | orthorhombic | 0.09 | 0.0956 | -5.579 | 7.68 |
| Pm-3m (No. 221) | cubic | 0.00 | 0.3804 | -5.211 | 8.95 |
| P21/c (No. 14) | Monoclinic | — | — | — | 8.05 |
| P21/c (No. 14) | Monoclinic | — | — | — | 8.61 |
| P21/c (No. 14) | Monoclinic | — | — | — | 8.35 |
| P21/c (No. 14) | — | — | — | — | — |
| R3 (No. 146) | — | — | — | — | — |
Applications
Where ZnBiO3 is used.
Frequently Asked Questions
Common questions about ZnBiO3, answered from cross-validated data.
What is ZnBiO3?
ZnBiO3 is a metastable semiconducting oxide utilized in advanced catalytic research.
What is ZnBiO3 used for?
What is the band gap of ZnBiO3?
Is ZnBiO3 a metal, semiconductor, or insulator?
Is ZnBiO3 thermodynamically stable?
What is the crystal structure of ZnBiO3?
What is the density of ZnBiO3?
How many polymorphs of ZnBiO3 are known?
What elements does ZnBiO3 contain?
Where does the data for ZnBiO3 come from?
How It Compares
Within the spinel oxide catalysts class.
Unlike the highly stable and widely utilized binary oxides such as ZnO or Al2O3, ZnBiO3 is characterized by its metastable nature, which often provides enhanced reactivity in catalytic environments. While complex perovskite-type oxides like LaMnO3 or LaNiO3 are frequently studied for their magnetic and electronic properties, ZnBiO3 stands out for its specific spinel-related structural framework, offering a different pathway for surface-mediated reactions compared to the more common MgAl2O4 spinel.
Related Compounds
Other Spinel Oxide Catalysts in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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