Ba3Zr2S7
Ba3Zr2S7 is a stable semiconducting ternary sulfide containing barium, zirconium, and sulfur.
About Ba3Zr2S7
Ba3Zr2S7 is a complex ternary sulfide composed of barium, zirconium, and sulfur. As a thermodynamically stable compound residing on the convex hull, it represents a robust structural configuration within the landscape of metal sulfides. Its electronic character as a semiconductor makes it a subject of interest for researchers investigating new functional materials. The compound is well-documented in structural databases, reflecting its significance in solid-state chemistry. It serves as a building block for understanding how heavy alkaline earth metals and transition metals interact within a chalcogenide framework to influence electronic behavior.
Key Properties
Cross-validated computational properties for Ba3Zr2S7, 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.
Applications
Where Ba3Zr2S7 is used.
Frequently Asked Questions
Common questions about Ba3Zr2S7, answered from cross-validated data.
What is Ba3Zr2S7?
Ba3Zr2S7 is a stable semiconducting ternary sulfide containing barium, zirconium, and sulfur.
What is Ba3Zr2S7 used for?
What is the band gap of Ba3Zr2S7?
Is Ba3Zr2S7 a metal, semiconductor, or insulator?
Is Ba3Zr2S7 thermodynamically stable?
How many polymorphs of Ba3Zr2S7 are known?
What elements does Ba3Zr2S7 contain?
Where does the data for Ba3Zr2S7 come from?
How It Compares
As a distinct ternary sulfide, Ba3Zr2S7 occupies a unique position in materials science, providing a stable platform for studying semiconducting behavior in complex sulfur-based lattices. It represents a specialized structural motif that highlights the diversity of barium-zirconium-sulfur chemistry, serving as a reference point for exploring the electronic properties of similar metal-sulfide systems.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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