ZrB
ZrB has a DFT band gap of Metallic / not reported across 258 reported structures in 36 space groups. Cross-validated across 4 computational databases.
At a glance
Key Properties
Cross-validated computational properties for ZrB, 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.
0.330 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.
Above hull
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
258
4 databases, 36 space groups
Synthesis
Synthesis Routes
Literature-extracted synthesis procedures targeting ZrB.
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
Reference
Frequently Asked Questions
Common questions about ZrB, answered from cross-validated data.
What is the band gap of ZrB?
ZrB is computed to be metallic (no band gap) in the reported DFT structures.
More questions
Is ZrB a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is ZrB thermodynamically stable?
ZrB has a lowest energy above hull of 0.330 eV/atom (above hull).
How many polymorphs of ZrB are known?
258 structures of ZrB are reported across 4 databases, spanning 36 distinct space groups.
How is ZrB synthesized?
Literature-reported routes for ZrB include solid state (10 procedures documented).
What elements does ZrB contain?
ZrB contains B and Zr (2 elements).
Where does the data for ZrB come from?
ZrB 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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