BaClH
BaClH is a stable, wide-gap insulating ternary compound composed of barium, chlorine, and hydrogen.
About BaClH
BaClH is a unique ternary inorganic compound composed of barium, chlorine, and hydrogen. As a thermodynamically stable material residing on the convex hull, it represents a robust structural arrangement that is of significant interest for fundamental materials research.
Characterized as a wide-gap insulator, this compound possesses electronic properties typical of materials that strictly limit charge carrier mobility. Its existence in multiple structural configurations highlights the complex coordination chemistry possible within this specific elemental combination.
Key Properties
Cross-validated computational properties for BaClH, 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 BaClH. 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.
Frequently Asked Questions
Common questions about BaClH, answered from cross-validated data.
What is BaClH?
BaClH is a stable, wide-gap insulating ternary compound composed of barium, chlorine, and hydrogen.
What is the band gap of BaClH?
Is BaClH a metal, semiconductor, or insulator?
Is BaClH thermodynamically stable?
How many polymorphs of BaClH are known?
What elements does BaClH contain?
Where does the data for BaClH come from?
How It Compares
As a distinct ternary compound, BaClH serves as a foundational example of halide-hydride chemistry. Without direct structural siblings in this specific class, it stands as a primary reference point for understanding how barium integrates with both chlorine and hydrogen to achieve thermodynamic stability.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
Analyze BaClH in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →