Bi2O8S2
Bi2O8S2 is a metastable bismuth oxysulfate characterized by its semimetallic electronic behavior.
About Bi2O8S2
Bi2O8S2 is a complex bismuth-based oxysulfate that exhibits semimetallic electronic character. Due to its near-zero band gap, it represents a unique candidate for fundamental studies into electronic transport and charge carrier dynamics in inorganic sulfur-oxygen systems.
As a metastable phase, this compound presents interesting challenges for synthesis and characterization. Its existence within the bismuth-oxygen-sulfur landscape highlights the structural diversity possible in these ternary systems, providing a platform for investigating phase stability and chemical bonding.
Key Properties
Cross-validated computational properties for Bi2O8S2, 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 Bi2O8S2, 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 | 0.04 | 0.0699 | -6.384 | 5.10 |
| No. 0 | unknown | — | — | — | 1.31 |
| — | — | — | — | — | 4.05 |
Applications
Where Bi2O8S2 is used.
Frequently Asked Questions
Common questions about Bi2O8S2, answered from cross-validated data.
What is Bi2O8S2?
Bi2O8S2 is a metastable bismuth oxysulfate characterized by its semimetallic electronic behavior.
What is Bi2O8S2 used for?
What is the band gap of Bi2O8S2?
Is Bi2O8S2 a metal, semiconductor, or insulator?
Is Bi2O8S2 thermodynamically stable?
What is the crystal structure of Bi2O8S2?
What is the density of Bi2O8S2?
How many polymorphs of Bi2O8S2 are known?
What elements does Bi2O8S2 contain?
Where does the data for Bi2O8S2 come from?
How It Compares
As a unique inorganic phase, Bi2O8S2 occupies a specialized niche within bismuth-based materials. Unlike more common, highly stable oxides or sulfates, this compound exists in a metastable state, making it a subject of interest for researchers exploring non-equilibrium material synthesis and the limits of structural stability in complex oxysulfates.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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