Si40
Si40 has a DFT band gap of 0.03–1.52 eV across 73 reported structures in 23 space groups. Cross-validated across 4 computational databases.
At a glance
Key Properties
Cross-validated computational properties for Si40, 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.
0.03–1.52 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)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
73
4 databases, 23 space groups
Synthesis
Synthesis Routes
Literature-extracted synthesis procedures targeting Si40.
Sol Gel
Procedure available · ceder_sol_gel
Sol Gel
Procedure available · ceder_sol_gel
Sol Gel
Procedure available · ceder_sol_gel
Solid State
Procedure available · ceder_solid_state
Solid State
Procedure available · ceder_solid_state
Solid State
Procedure available · ceder_solid_state
Reference
Frequently Asked Questions
Common questions about Si40, answered from cross-validated data.
What is the band gap of Si40?
Si40 has a DFT-computed band gap of 0.03–1.52 eV across 73 reported structures.
More questions
Is Si40 a metal, semiconductor, or insulator?
With a band gap up to 1.52 eV it is a semiconductor.
Is Si40 thermodynamically stable?
Yes — Si40 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Si40 are known?
73 structures of Si40 are reported across 4 databases, spanning 23 distinct space groups.
How is Si40 synthesized?
Literature-reported routes for Si40 include sol gel, solid state (10 procedures documented).
What elements does Si40 contain?
Si40 contains Si (1 element).
Where does the data for Si40 come from?
Si40 data is cross-referenced from latticegraph.
Explore
Related Compounds
Other Silicon Anode Materials in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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