ZrAlN2
ZrAlN2 has a DFT band gap of Metallic / not reported across 5 reported structures in 3 space groups. Cross-validated across 3 computational databases.
At a glance
Key Properties
Cross-validated computational properties for ZrAlN2, 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.
Metallic / not reported
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.
0.475 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.
Above hull
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
5
3 databases, 3 space groups
Reference
Frequently Asked Questions
Common questions about ZrAlN2, answered from cross-validated data.
What is the band gap of ZrAlN2?
ZrAlN2 is computed to be metallic (no band gap) in the reported DFT structures.
More questions
Is ZrAlN2 a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is ZrAlN2 thermodynamically stable?
ZrAlN2 has a lowest energy above hull of 0.475 eV/atom (above hull).
How many polymorphs of ZrAlN2 are known?
5 structures of ZrAlN2 are reported across 3 databases, spanning 3 distinct space groups.
What elements does ZrAlN2 contain?
ZrAlN2 contains Al, N, and Zr (3 elements).
Where does the data for ZrAlN2 come from?
ZrAlN2 data is cross-referenced from latticegraph.
Explore
Related Compounds
Other Nitride Semiconductors in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
Analyze ZrAlN2 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →