Mo4Se8
Mo4Se8 has a DFT band gap of 1.16–1.43 eV across 11 reported structures in 5 space groups. Cross-validated across 4 computational databases.
At a glance
Key Properties
Cross-validated computational properties for Mo4Se8, 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.
1.16–1.43 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.
11
4 databases, 5 space groups
Reference
Frequently Asked Questions
Common questions about Mo4Se8, answered from cross-validated data.
What is the band gap of Mo4Se8?
Mo4Se8 has a DFT-computed band gap of 1.16–1.43 eV across 11 reported structures.
More questions
Is Mo4Se8 a metal, semiconductor, or insulator?
With a band gap up to 1.43 eV it is a semiconductor.
Is Mo4Se8 thermodynamically stable?
Yes — Mo4Se8 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Mo4Se8 are known?
11 structures of Mo4Se8 are reported across 4 databases, spanning 5 distinct space groups.
What elements does Mo4Se8 contain?
Mo4Se8 contains Mo and Se (2 elements).
Where does the data for Mo4Se8 come from?
Mo4Se8 data is cross-referenced from latticegraph.
Explore
Related Compounds
Other Transition-Metal Dichalcogenides in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
Analyze Mo4Se8 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →