BaZnSO
BaZnSO has a DFT band gap of 2.24 eV across 3 reported structures in 1 space group. Cross-validated across 3 computational databases.
BaOSZn
At a glance
Key Properties
Cross-validated computational properties for BaZnSO, 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.
2.24 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
3
3 databases, 1 space group
Synthesis
Synthesis Routes
Literature-extracted synthesis procedures targeting BaZnSO.
Solid State
Procedure available · ceder_solid_state
Solid State
Procedure available · ceder_solid_state
Reference
Frequently Asked Questions
Common questions about BaZnSO, answered from cross-validated data.
What is the band gap of BaZnSO?
BaZnSO has a DFT-computed band gap of 2.24 eV across 3 reported structures.
More questions
Is BaZnSO a metal, semiconductor, or insulator?
With a band gap up to 2.24 eV it is a semiconductor.
Is BaZnSO thermodynamically stable?
Yes — BaZnSO sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of BaZnSO are known?
3 structures of BaZnSO are reported across 3 databases, spanning 1 distinct space group.
How is BaZnSO synthesized?
Literature-reported routes for BaZnSO include solid state (2 procedures documented).
What elements does BaZnSO contain?
BaZnSO contains Ba, O, S, and Zn (4 elements).
Where does the data for BaZnSO come from?
BaZnSO data is cross-referenced from latticegraph.
Reading
Related Research
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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