CuGaS2
CuGaS2 has a DFT band gap of 0.18–0.71 eV across 3 reported structures in 2 space groups. Cross-validated across 2 computational databases.
At a glance
Key Properties
Cross-validated computational properties for CuGaS2, 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.
0.18–0.71 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
2 databases, 2 space groups
Synthesis
Synthesis Routes
Literature-extracted synthesis procedures targeting CuGaS2.
Solid State
Procedure available · ceder_solid_state
Solid State
Procedure available · ceder_solid_state
Reference
Frequently Asked Questions
Common questions about CuGaS2, answered from cross-validated data.
What is the band gap of CuGaS2?
CuGaS2 has a DFT-computed band gap of 0.18–0.71 eV across 3 reported structures.
More questions
Is CuGaS2 a metal, semiconductor, or insulator?
With a band gap up to 0.71 eV it is a semiconductor.
Is CuGaS2 thermodynamically stable?
Yes — CuGaS2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of CuGaS2 are known?
3 structures of CuGaS2 are reported across 2 databases, spanning 2 distinct space groups.
How is CuGaS2 synthesized?
Literature-reported routes for CuGaS2 include solid state (2 procedures documented).
What elements does CuGaS2 contain?
CuGaS2 contains Cu, Ga, and S (3 elements).
Where does the data for CuGaS2 come from?
CuGaS2 data is cross-referenced from latticegraph.
Explore
Related Compounds
Other Chalcogenide Photovoltaic Absorbers in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
Analyze CuGaS2 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →