Br4Nb
Br4Nb is a stable, semiconducting compound formed from niobium and bromine atoms.
About Br4Nb
Br4Nb is a semiconducting inorganic compound composed of niobium and bromine. As a thermodynamically stable phase residing on the convex hull, it represents a robust configuration of these elements that maintains structural integrity under standard conditions.
This material is of interest for researchers investigating metal-halide systems with semiconducting electronic characteristics. Its stable nature makes it a compelling candidate for further exploration in solid-state chemistry and materials science research.
Key Properties
Cross-validated computational properties for Br4Nb, 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.
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.
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.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of Br4Nb. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Applications
Where Br4Nb is used.
Frequently Asked Questions
Common questions about Br4Nb, answered from cross-validated data.
What is Br4Nb?
Br4Nb is a stable, semiconducting compound formed from niobium and bromine atoms.
What is Br4Nb used for?
What is the band gap of Br4Nb?
Is Br4Nb a metal, semiconductor, or insulator?
Is Br4Nb thermodynamically stable?
How many polymorphs of Br4Nb are known?
What elements does Br4Nb contain?
Where does the data for Br4Nb come from?
How It Compares
As a distinct niobium bromide, Br4Nb serves as a fundamental example of stable metal-halide stoichiometry. Without direct structural siblings in this specific class, it stands as a unique reference point for understanding the electronic and bonding behaviors of niobium-bromine frameworks.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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