Nb4Al
Nb4Al has a DFT band gap of Metallic / not reported across 8 reported structures in 4 space groups. Cross-validated across 3 computational databases.
At a glance
Key Properties
Cross-validated computational properties for Nb4Al, 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.
0.104 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.
Above hull
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
8
3 databases, 4 space groups
Synthesis
Synthesis Routes
Literature-extracted synthesis procedures targeting Nb4Al.
Solid State
Procedure available · ceder_solid_state
Reference
Frequently Asked Questions
Common questions about Nb4Al, answered from cross-validated data.
What is the band gap of Nb4Al?
Nb4Al is computed to be metallic (no band gap) in the reported DFT structures.
More questions
Is Nb4Al a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is Nb4Al thermodynamically stable?
Nb4Al has a lowest energy above hull of 0.104 eV/atom (above hull).
How many polymorphs of Nb4Al are known?
8 structures of Nb4Al are reported across 3 databases, spanning 4 distinct space groups.
How is Nb4Al synthesized?
Literature-reported routes for Nb4Al include solid state.
What elements does Nb4Al contain?
Nb4Al contains Al and Nb (2 elements).
Where does the data for Nb4Al come from?
Nb4Al data is cross-referenced from latticegraph.
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Related Compounds
Other A15 Superconductors in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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