BaSb2
BaSb2 is a thermodynamically stable metallic compound formed from barium and antimony.
About BaSb2
BaSb2 is a metallic compound composed of barium and antimony. As a thermodynamically stable phase located on the convex hull, it represents a robust structural configuration within the barium-antimony binary system.
Its metallic nature and structural reliability make it a subject of significant interest in solid-state chemistry. With numerous reported structures across multiple databases, it serves as a key reference point for understanding the bonding and phase behavior of alkaline-earth pnictides.
Key Properties
Cross-validated computational properties for BaSb2, aggregated across 5 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 BaSb2. 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.
Synthesis Routes
Literature-extracted synthesis procedures targeting BaSb2.
Applications
Where BaSb2 is used.
Frequently Asked Questions
Common questions about BaSb2, answered from cross-validated data.
What is BaSb2?
BaSb2 is a thermodynamically stable metallic compound formed from barium and antimony.
What is BaSb2 used for?
What is the band gap of BaSb2?
Is BaSb2 a metal, semiconductor, or insulator?
Is BaSb2 thermodynamically stable?
How many polymorphs of BaSb2 are known?
How is BaSb2 synthesized?
What elements does BaSb2 contain?
Where does the data for BaSb2 come from?
How It Compares
As a stable binary intermetallic, BaSb2 serves as a foundational example of the structural diversity possible within the barium-antimony system, providing a benchmark for the stability and electronic properties of similar alkaline-earth metal pnictides.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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