Fe2Si2
Fe2Si2 has a DFT band gap of 0.18 eV across 64 reported structures in 14 space groups. Cross-validated across 5 computational databases.
At a glance
Key Properties
Cross-validated computational properties for Fe2Si2, aggregated across 5 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.
0.18 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)
3 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
64
5 databases, 14 space groups
Synthesis
Synthesis Routes
Literature-extracted synthesis procedures targeting Fe2Si2.
Solid State
Procedure available · ceder_solid_state
Reference
Frequently Asked Questions
Common questions about Fe2Si2, answered from cross-validated data.
What is the band gap of Fe2Si2?
Fe2Si2 has a DFT-computed band gap of 0.18 eV across 64 reported structures.
More questions
Is Fe2Si2 a metal, semiconductor, or insulator?
With a band gap up to 0.18 eV it is a semiconductor.
Is Fe2Si2 thermodynamically stable?
Yes — Fe2Si2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Fe2Si2 are known?
64 structures of Fe2Si2 are reported across 5 databases, spanning 14 distinct space groups.
How is Fe2Si2 synthesized?
Literature-reported routes for Fe2Si2 include solid state.
What elements does Fe2Si2 contain?
Fe2Si2 contains Fe and Si (2 elements).
Where does the data for Fe2Si2 come from?
Fe2Si2 data is cross-referenced from latticegraph.
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Related Compounds
Other Silicon Anode Materials in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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