ZrB2
ZrB2 has a DFT band gap of Metallic / not reported across 143 reported structures in 19 space groups. Cross-validated across 3 computational databases.
At a glance
Key Properties
Cross-validated computational properties for ZrB2, 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.
143
3 databases, 19 space groups
Synthesis
Synthesis Routes
Literature-extracted synthesis procedures targeting ZrB2.
Solid State
Procedure available · ceder_solid_state
Solid State
Procedure available · ceder_solid_state
Solid State
Procedure available · ceder_solid_state
Solid State
Procedure available · ceder_solid_state
Solid State
Procedure available · ceder_solid_state
Solid State
Procedure available · ceder_solid_state
Intellectual Property
Patent Landscape
9 patents reference ZrB2 or close compositional variants.
| Patent | Title | Assignee | Granted |
|---|---|---|---|
| 12146223 | NiCrBSi—ZrB2 metal ceramic powder, composite coating for high temperature protection, and preparation method t | — | — |
| 5248639 | ZrB.sub.2 phase with enhanced electrical and thermal conductivities and shock resistance | — | — |
| 4678759 | ZrB.sub.2 composite sintered material | — | — |
| 4636481 | ZrB.sub.2 composite sintered material | — | — |
| 4668643 | ZrB.sub.2 composite sintered material | — | — |
| 5870663 | Manufacture and use of ZrB.sub.2 /CU composite electrodes | — | — |
| 8585995 | High purity ZrB2 powder and manufacturing method thereof | — | — |
| 4671822 | ZrB.sub.2 -containing sintered cermet | — | — |
| 5933701 | Manufacture and use of ZrB.sub.2 /Cu or TiB.sub.2 /Cu composite electrodes | — | — |
Reference
Frequently Asked Questions
Common questions about ZrB2, answered from cross-validated data.
What is the band gap of ZrB2?
ZrB2 is computed to be metallic (no band gap) in the reported DFT structures.
More questions
Is ZrB2 a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is ZrB2 thermodynamically stable?
Yes — ZrB2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of ZrB2 are known?
143 structures of ZrB2 are reported across 3 databases, spanning 19 distinct space groups.
How is ZrB2 synthesized?
Literature-reported routes for ZrB2 include solid state (10 procedures documented).
What elements does ZrB2 contain?
ZrB2 contains B and Zr (2 elements).
Where does the data for ZrB2 come from?
ZrB2 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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