Ni6Sb8Zr6
Ni6Sb8Zr6 has a DFT band gap of 0.43 eV across 4 reported structures in 1 space group. Cross-validated across 2 computational databases.
At a glance
Key Properties
Cross-validated computational properties for Ni6Sb8Zr6, 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.
0.43 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)
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
4
2 databases, 1 space group
Reference
Frequently Asked Questions
Common questions about Ni6Sb8Zr6, answered from cross-validated data.
What is the band gap of Ni6Sb8Zr6?
Ni6Sb8Zr6 has a DFT-computed band gap of 0.43 eV across 4 reported structures.
More questions
Is Ni6Sb8Zr6 a metal, semiconductor, or insulator?
With a band gap up to 0.43 eV it is a semiconductor.
Is Ni6Sb8Zr6 thermodynamically stable?
Yes — Ni6Sb8Zr6 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Ni6Sb8Zr6 are known?
4 structures of Ni6Sb8Zr6 are reported across 2 databases, spanning 1 distinct space group.
What elements does Ni6Sb8Zr6 contain?
Ni6Sb8Zr6 contains Ni, Sb, and Zr (3 elements).
Where does the data for Ni6Sb8Zr6 come from?
Ni6Sb8Zr6 data is cross-referenced from latticegraph.
Explore
Related Compounds
Other Skutterudite Thermoelectrics in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
Analyze Ni6Sb8Zr6 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →