TaB
TaB has a DFT band gap of Metallic / not reported across 368 reported structures in 38 space groups. Cross-validated across 4 computational databases.
At a glance
Key Properties
Cross-validated computational properties for TaB, 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.
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.
368
4 databases, 38 space groups
Synthesis
Synthesis Routes
Literature-extracted synthesis procedures targeting TaB.
Sol Gel
Procedure available · ceder_sol_gel
Sol Gel
Procedure available · ceder_sol_gel
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
Reference
Frequently Asked Questions
Common questions about TaB, answered from cross-validated data.
What is the band gap of TaB?
TaB is computed to be metallic (no band gap) in the reported DFT structures.
More questions
Is TaB a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is TaB thermodynamically stable?
Yes — TaB sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of TaB are known?
368 structures of TaB are reported across 4 databases, spanning 38 distinct space groups.
How is TaB synthesized?
Literature-reported routes for TaB include sol gel, solid state (10 procedures documented).
What elements does TaB contain?
TaB contains B and Ta (2 elements).
Where does the data for TaB come from?
TaB data is cross-referenced from latticegraph.
Explore
Related Compounds
Other Ultra-High-Temperature Ceramics in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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