As1Ba2Br1
As1Ba2Br1 is a semiconducting compound consisting of arsenic, barium, and bromine that is currently categorized as thermodynamically unstable.
About As1Ba2Br1
As1Ba2Br1 is a ternary compound composed of arsenic, barium, and bromine that exhibits semiconducting electronic characteristics. Its structural complexity is highlighted by a significant number of reported configurations within materials databases.
Due to its position above the thermodynamic stability hull, this material is considered potentially unstable under standard conditions. It serves as a subject of interest for researchers investigating the synthesis and phase behavior of complex pnictide-halide systems.
Key Properties
Cross-validated computational properties for As1Ba2Br1, aggregated across 2 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.
Frequently Asked Questions
Common questions about As1Ba2Br1, answered from cross-validated data.
What is As1Ba2Br1?
As1Ba2Br1 is a semiconducting compound consisting of arsenic, barium, and bromine that is currently categorized as thermodynamically unstable.
What is the band gap of As1Ba2Br1?
Is As1Ba2Br1 a metal, semiconductor, or insulator?
Is As1Ba2Br1 thermodynamically stable?
How many polymorphs of As1Ba2Br1 are known?
What elements does As1Ba2Br1 contain?
Where does the data for As1Ba2Br1 come from?
How It Compares
As a unique ternary compound, As1Ba2Br1 represents a specialized intersection of pnictide and halide chemistry. Without direct structural siblings in this specific class, it stands as an isolated example of how arsenic and barium can be integrated into a halogen-rich lattice, providing a baseline for future studies into the stability of similar complex inorganic phases.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
Analyze As1Ba2Br1 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →