Nb2Al
Nb2Al has a DFT band gap of Metallic / not reported across 68 reported structures in 18 space groups. Cross-validated across 3 computational databases.
At a glance
Key Properties
Cross-validated computational properties for Nb2Al, 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.
0.000 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.
68
3 databases, 18 space groups
Synthesis
Synthesis Routes
Literature-extracted synthesis procedures targeting Nb2Al.
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 Nb2Al, answered from cross-validated data.
What is the band gap of Nb2Al?
Nb2Al is computed to be metallic (no band gap) in the reported DFT structures.
More questions
Is Nb2Al a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is Nb2Al thermodynamically stable?
Yes — Nb2Al sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Nb2Al are known?
68 structures of Nb2Al are reported across 3 databases, spanning 18 distinct space groups.
How is Nb2Al synthesized?
Literature-reported routes for Nb2Al include solid state (3 procedures documented).
What elements does Nb2Al contain?
Nb2Al contains Al and Nb (2 elements).
Where does the data for Nb2Al come from?
Nb2Al 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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