S12Zn12
S12Zn12 has a DFT band gap of 0.11–2.09 eV across 160 reported structures in 7 space groups. Cross-validated across 4 computational databases.
At a glance
Key Properties
Cross-validated computational properties for S12Zn12, aggregated across 4 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.
0.11–2.09 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)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
160
4 databases, 7 space groups
Reference
Frequently Asked Questions
Common questions about S12Zn12, answered from cross-validated data.
What is the band gap of S12Zn12?
S12Zn12 has a DFT-computed band gap of 0.11–2.09 eV across 160 reported structures.
More questions
Is S12Zn12 a metal, semiconductor, or insulator?
With a band gap up to 2.09 eV it is a semiconductor.
Is S12Zn12 thermodynamically stable?
Yes — S12Zn12 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of S12Zn12 are known?
160 structures of S12Zn12 are reported across 4 databases, spanning 7 distinct space groups.
What elements does S12Zn12 contain?
S12Zn12 contains S and Zn (2 elements).
Where does the data for S12Zn12 come from?
S12Zn12 data is cross-referenced from latticegraph.
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Related Compounds
Other II-VI Semiconductors in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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