Cr2B
Cr2B has a DFT band gap of Metallic / not reported across 97 reported structures in 19 space groups. Cross-validated across 3 computational databases.
At a glance
Key Properties
Cross-validated computational properties for Cr2B, 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.
0.067 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.
97
3 databases, 19 space groups
Synthesis
Synthesis Routes
Literature-extracted synthesis procedures targeting Cr2B.
Solid State
Procedure available · ceder_solid_state
Solid State
Procedure available · ceder_solid_state
Reference
Frequently Asked Questions
Common questions about Cr2B, answered from cross-validated data.
What is the band gap of Cr2B?
Cr2B is computed to be metallic (no band gap) in the reported DFT structures.
More questions
Is Cr2B a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is Cr2B thermodynamically stable?
Cr2B has a lowest energy above hull of 0.067 eV/atom (metastable).
How many polymorphs of Cr2B are known?
97 structures of Cr2B are reported across 3 databases, spanning 19 distinct space groups.
How is Cr2B synthesized?
Literature-reported routes for Cr2B include solid state (2 procedures documented).
What elements does Cr2B contain?
Cr2B contains B and Cr (2 elements).
Where does the data for Cr2B come from?
Cr2B data is cross-referenced from latticegraph.
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Related Compounds
Other Transition-Metal Borides in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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