Bi2SO2
Bismuth sulfur oxide is an inorganic compound characterized by its layered crystal structure. It is primarily studied for its potential utility in advanced electronic and optoelectronic devices due to its unique semiconductor properties.
BiOS
Overview
Key Properties
Cross-validated computational properties for Bi2SO2, 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.
0.83 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
4
3 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Bi2SO2, 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. |
|---|---|---|---|---|---|
| Pnnm (No. 58) | orthorhombic | 0.83 | 0.0000 | -5.701 | 8.98 |
| No. 0 | unknown | — | — | — | 1.80 |
| Pnnm (No. 58) | — | — | — | — | — |
| Pnnm (No. 58) | — | — | — | — | — |
Uses
Applications
Where Bi2SO2 is used.
PhotocatalysisSemiconductor researchOptoelectronic device development
Reference
Frequently Asked Questions
Common questions about Bi2SO2, answered from cross-validated data.
What is Bi2SO2?
Bismuth sulfur oxide is an inorganic compound characterized by its layered crystal structure. It is primarily studied for its potential utility in advanced electronic and optoelectronic devices due to its unique semiconductor properties.
What is Bi2SO2 used for?
Bi2SO2 is used in photocatalysis, semiconductor research, and optoelectronic device development.
What is the band gap of Bi2SO2?
Bi2SO2 has a DFT-computed band gap of 0.83 eV across 4 reported structures.
Is Bi2SO2 a metal, semiconductor, or insulator?
With a band gap up to 0.83 eV it is a semiconductor.
Is Bi2SO2 thermodynamically stable?
Yes — Bi2SO2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Bi2SO2?
The lowest-energy reported polymorph of Bi2SO2 is orthorhombic symmetry, space group Pnnm (No. 58).
What is the density of Bi2SO2?
The computed density of the ground-state structure of Bi2SO2 is 8.98 g/cm³.
How many polymorphs of Bi2SO2 are known?
4 structures of Bi2SO2 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Bi2SO2 contain?
Bi2SO2 contains Bi, O, and S (3 elements).
Where does the data for Bi2SO2 come from?
Bi2SO2 data is cross-referenced from materials_project, cod, jarvis.
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).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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