Bi2Se4
Bi2Se4 has a DFT band gap of 0.67 eV across 14 reported structures in 7 space groups. Cross-validated across 4 computational databases.
At a glance
Key Properties
Cross-validated computational properties for Bi2Se4, aggregated across 4 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.
0.67 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.
0.021 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.
14
4 databases, 7 space groups
Synthesis
Synthesis Routes
Literature-extracted synthesis procedures targeting Bi2Se4.
Solid State
Procedure available · ceder_solid_state
Reference
Frequently Asked Questions
Common questions about Bi2Se4, answered from cross-validated data.
What is the band gap of Bi2Se4?
Bi2Se4 has a DFT-computed band gap of 0.67 eV across 14 reported structures.
More questions
Is Bi2Se4 a metal, semiconductor, or insulator?
With a band gap up to 0.67 eV it is a semiconductor.
Is Bi2Se4 thermodynamically stable?
Bi2Se4 has a lowest energy above hull of 0.021 eV/atom (near hull (likely stable)).
How many polymorphs of Bi2Se4 are known?
14 structures of Bi2Se4 are reported across 4 databases, spanning 7 distinct space groups.
How is Bi2Se4 synthesized?
Literature-reported routes for Bi2Se4 include solid state.
What elements does Bi2Se4 contain?
Bi2Se4 contains Bi and Se (2 elements).
Where does the data for Bi2Se4 come from?
Bi2Se4 data is cross-referenced from latticegraph.
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Related Compounds
Other Bismuth Chalcogenide Thermoelectrics in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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