TaB2
TaB2 has a DFT band gap of Metallic / not reported across 182 reported structures in 29 space groups. Cross-validated across 3 computational databases.
At a glance
Key Properties
Cross-validated computational properties for TaB2, 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.
182
3 databases, 29 space groups
Reference
Frequently Asked Questions
Common questions about TaB2, answered from cross-validated data.
What is the band gap of TaB2?
TaB2 is computed to be metallic (no band gap) in the reported DFT structures.
More questions
Is TaB2 a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is TaB2 thermodynamically stable?
Yes — TaB2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of TaB2 are known?
182 structures of TaB2 are reported across 3 databases, spanning 29 distinct space groups.
What elements does TaB2 contain?
TaB2 contains B and Ta (2 elements).
Where does the data for TaB2 come from?
TaB2 data is cross-referenced from latticegraph.
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Related Compounds
Other Ultra-High-Temperature Ceramics in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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