SiBr2
SiBr2 has a DFT band gap of 2.36–2.74 eV across 34 reported structures in 15 space groups. Cross-validated across 4 computational databases.
At a glance
Key Properties
Cross-validated computational properties for SiBr2, 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.
2.36–2.74 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.
0.034 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.
Metastable
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
34
4 databases, 15 space groups
Reference
Frequently Asked Questions
Common questions about SiBr2, answered from cross-validated data.
What is the band gap of SiBr2?
SiBr2 has a DFT-computed band gap of 2.36–2.74 eV across 34 reported structures.
More questions
Is SiBr2 a metal, semiconductor, or insulator?
With a band gap up to 2.74 eV it is a semiconductor.
Is SiBr2 thermodynamically stable?
SiBr2 has a lowest energy above hull of 0.034 eV/atom (metastable).
How many polymorphs of SiBr2 are known?
34 structures of SiBr2 are reported across 4 databases, spanning 15 distinct space groups.
What elements does SiBr2 contain?
SiBr2 contains Br and Si (2 elements).
Where does the data for SiBr2 come from?
SiBr2 data is cross-referenced from latticegraph.
Reading
Related Research
Explore
Related Compounds
Other Silicon Anode Materials in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
Analyze SiBr2 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →