C2Zr2
C2Zr2 has a DFT band gap of 0.48 eV across 47 reported structures in 14 space groups. Cross-validated across 4 computational databases.
At a glance
Key Properties
Cross-validated computational properties for C2Zr2, 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.
0.48 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.
47
4 databases, 14 space groups
Reference
Frequently Asked Questions
Common questions about C2Zr2, answered from cross-validated data.
What is the band gap of C2Zr2?
C2Zr2 has a DFT-computed band gap of 0.48 eV across 47 reported structures.
More questions
Is C2Zr2 a metal, semiconductor, or insulator?
With a band gap up to 0.48 eV it is a semiconductor.
Is C2Zr2 thermodynamically stable?
Yes — C2Zr2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of C2Zr2 are known?
47 structures of C2Zr2 are reported across 4 databases, spanning 14 distinct space groups.
What elements does C2Zr2 contain?
C2Zr2 contains C and Zr (2 elements).
Where does the data for C2Zr2 come from?
C2Zr2 data is cross-referenced from latticegraph.
Explore
Related Compounds
Other Ultra-High-Temperature Ceramics in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
Analyze C2Zr2 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →