Ta2B
Ta2B has a DFT band gap of Metallic / not reported across 146 reported structures in 20 space groups. Cross-validated across 3 computational databases.
At a glance
Key Properties
Cross-validated computational properties for Ta2B, 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.
0.034 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.
Metastable
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
146
3 databases, 20 space groups
Synthesis
Synthesis Routes
Literature-extracted synthesis procedures targeting Ta2B.
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
Sol Gel
Procedure available · ceder_sol_gel
Reference
Frequently Asked Questions
Common questions about Ta2B, answered from cross-validated data.
What is the band gap of Ta2B?
Ta2B is computed to be metallic (no band gap) in the reported DFT structures.
More questions
Is Ta2B a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is Ta2B thermodynamically stable?
Ta2B has a lowest energy above hull of 0.034 eV/atom (metastable).
How many polymorphs of Ta2B are known?
146 structures of Ta2B are reported across 3 databases, spanning 20 distinct space groups.
How is Ta2B synthesized?
Literature-reported routes for Ta2B include sol gel, solid state (10 procedures documented).
What elements does Ta2B contain?
Ta2B contains B and Ta (2 elements).
Where does the data for Ta2B come from?
Ta2B 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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