ZnBi2O5
ZnBi2O5 is a metastable, semiconducting bismuth-zinc oxide used in the study of advanced catalytic materials.
About ZnBi2O5
ZnBi2O5 is a complex oxide belonging to the spinel-related catalyst family. Characterized by its semiconducting electronic nature, this material represents a unique intersection of bismuth and zinc chemistry within an oxygen-coordinated framework. Its metastable thermodynamic profile suggests a high degree of structural sensitivity, making it a subject of significant interest for researchers investigating non-equilibrium phase behavior in advanced oxides. Given its presence in multiple structural databases, it serves as a valuable case study for understanding the synthesis and stability of bismuth-based spinels. Its potential utility lies in its ability to facilitate catalytic processes where specific electronic band structures are required to drive surface reactions.
Key Properties
Cross-validated computational properties for ZnBi2O5, 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 ZnBi2O5, 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. |
|---|---|---|---|---|---|
| Pbca (No. 61) | orthorhombic | 0.23 | 0.0294 | -5.736 | 7.91 |
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.0828 | -5.682 | 7.18 |
| P21/c (No. 14) | monoclinic | 0.33 | 0.1079 | -5.657 | 6.97 |
| P1 (No. 1) | triclinic | 0.27 | 0.2133 | -5.552 | 7.31 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 7.18 |
| P21/c (No. 14) | Monoclinic | — | — | — | 7.47 |
| P21/c (No. 14) | Monoclinic | — | — | — | 6.97 |
| P21/c (No. 14) | Monoclinic | — | — | — | 7.22 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 7.45 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 7.71 |
| P1 (No. 1) | — | — | — | — | — |
Applications
Where ZnBi2O5 is used.
Frequently Asked Questions
Common questions about ZnBi2O5, answered from cross-validated data.
What is ZnBi2O5?
ZnBi2O5 is a metastable, semiconducting bismuth-zinc oxide used in the study of advanced catalytic materials.
What is ZnBi2O5 used for?
What is the band gap of ZnBi2O5?
Is ZnBi2O5 a metal, semiconductor, or insulator?
Is ZnBi2O5 thermodynamically stable?
What is the crystal structure of ZnBi2O5?
What is the density of ZnBi2O5?
How many polymorphs of ZnBi2O5 are known?
What elements does ZnBi2O5 contain?
Where does the data for ZnBi2O5 come from?
How It Compares
Within the spinel oxide catalysts class.
Within the broader class of spinel oxides and related binary systems, ZnBi2O5 occupies a distinct niche compared to highly stable, well-characterized materials like MgAl2O4 or simple binary oxides such as ZnO and NiO. Unlike the robust, widely utilized perovskites like LaMnO3 or LaAlO3, ZnBi2O5 exhibits metastability that differentiates its catalytic reactivity and structural evolution from these more thermodynamically favored counterparts.
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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