Nb3Si1
Nb3Si1 has a DFT band gap of Metallic / not reported across 30 reported structures in 14 space groups. Cross-validated across 3 computational databases.
At a glance
Key Properties
Cross-validated computational properties for Nb3Si1, 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.
Metallic / not reported
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.
0.013 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)
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
30
3 databases, 14 space groups
Reference
Frequently Asked Questions
Common questions about Nb3Si1, answered from cross-validated data.
What is the band gap of Nb3Si1?
Nb3Si1 is computed to be metallic (no band gap) in the reported DFT structures.
More questions
Is Nb3Si1 a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is Nb3Si1 thermodynamically stable?
Nb3Si1 has a lowest energy above hull of 0.013 eV/atom (near hull (likely stable)).
How many polymorphs of Nb3Si1 are known?
30 structures of Nb3Si1 are reported across 3 databases, spanning 14 distinct space groups.
What elements does Nb3Si1 contain?
Nb3Si1 contains Nb and Si (2 elements).
Where does the data for Nb3Si1 come from?
Nb3Si1 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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