Bi2Se2S
Bi2Se2S has a DFT band gap of 1.17 eV across 5 reported structures in 2 space groups. Cross-validated across 3 computational databases.
At a glance
Key Properties
Cross-validated computational properties for Bi2Se2S, 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.
1.17 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.
0.023 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.
Near hull (likely stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
5
3 databases, 2 space groups
Reference
Frequently Asked Questions
Common questions about Bi2Se2S, answered from cross-validated data.
What is the band gap of Bi2Se2S?
Bi2Se2S has a DFT-computed band gap of 1.17 eV across 5 reported structures.
More questions
Is Bi2Se2S a metal, semiconductor, or insulator?
With a band gap up to 1.17 eV it is a semiconductor.
Is Bi2Se2S thermodynamically stable?
Bi2Se2S has a lowest energy above hull of 0.023 eV/atom (near hull (likely stable)).
How many polymorphs of Bi2Se2S are known?
5 structures of Bi2Se2S are reported across 3 databases, spanning 2 distinct space groups.
What elements does Bi2Se2S contain?
Bi2Se2S contains Bi, S, and Se (3 elements).
Where does the data for Bi2Se2S come from?
Bi2Se2S data is cross-referenced from latticegraph.
Explore
Related Compounds
Other Bismuth Chalcogenide Thermoelectrics in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
Analyze Bi2Se2S in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →