HfB2
HfB2 has a DFT band gap of Metallic / not reported across 108 reported structures in 20 space groups. Cross-validated across 3 computational databases.
At a glance
Key Properties
Cross-validated computational properties for HfB2, 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.
108
3 databases, 20 space groups
Synthesis
Synthesis Routes
Literature-extracted synthesis procedures targeting HfB2.
Solid State
Procedure available · ceder_solid_state
Intellectual Property
Patent Landscape
2 patents reference HfB2 or close compositional variants.
| Patent | Title | Assignee | Granted |
|---|---|---|---|
| 5691258 | Two phase HfB.sub.2 -SiB.sub.4 material | — | — |
| 11180419 | Method for preparation of dense HfC(Si)—HfB2 composite ceramic | — | — |
Reference
Frequently Asked Questions
Common questions about HfB2, answered from cross-validated data.
What is the band gap of HfB2?
HfB2 is computed to be metallic (no band gap) in the reported DFT structures.
More questions
Is HfB2 a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is HfB2 thermodynamically stable?
Yes — HfB2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of HfB2 are known?
108 structures of HfB2 are reported across 3 databases, spanning 20 distinct space groups.
How is HfB2 synthesized?
Literature-reported routes for HfB2 include solid state.
What elements does HfB2 contain?
HfB2 contains B and Hf (2 elements).
Where does the data for HfB2 come from?
HfB2 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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