BaMgSb
BaMgSb is a thermodynamically stable semiconducting ternary compound consisting of barium, magnesium, and antimony.
About BaMgSb
BaMgSb is a ternary semiconducting compound that occupies a stable position on the convex hull, indicating significant thermodynamic robustness. Its unique combination of alkaline earth and pnictogen elements allows for distinct electronic behavior, making it a subject of interest for fundamental solid-state studies.
As a stable material, it serves as a foundational candidate for exploring new electronic phases. Its structural characteristics, observed across multiple configurations, suggest a versatile framework for future experimental investigation into its semiconducting properties.
Key Properties
Cross-validated computational properties for BaMgSb, 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 BaMgSb. 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 BaMgSb is used.
Frequently Asked Questions
Common questions about BaMgSb, answered from cross-validated data.
What is BaMgSb?
BaMgSb is a thermodynamically stable semiconducting ternary compound consisting of barium, magnesium, and antimony.
What is BaMgSb used for?
What is the band gap of BaMgSb?
Is BaMgSb a metal, semiconductor, or insulator?
Is BaMgSb thermodynamically stable?
How many polymorphs of BaMgSb are known?
What elements does BaMgSb contain?
Where does the data for BaMgSb come from?
How It Compares
As a standalone entry in this context, BaMgSb represents a stable building block within its chemical family, providing a baseline for understanding how the integration of barium, magnesium, and antimony influences electronic behavior in ternary systems.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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