ZrC
ZrC has a DFT band gap of 0.48 eV across 275 reported structures in 37 space groups. Cross-validated across 4 computational databases.
At a glance
Key Properties
Cross-validated computational properties for ZrC, 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.
275
4 databases, 37 space groups
Synthesis
Synthesis Routes
Literature-extracted synthesis procedures targeting ZrC.
Sol Gel
Procedure available · ceder_sol_gel
Sol Gel
Procedure available · ceder_sol_gel
Sol Gel
Procedure available · ceder_sol_gel
Sol Gel
Procedure available · ceder_sol_gel
Sol Gel
Procedure available · ceder_sol_gel
Sol Gel
Procedure available · ceder_sol_gel
Intellectual Property
Patent Landscape
2 patents reference ZrC or close compositional variants.
| Patent | Title | Assignee | Granted |
|---|---|---|---|
| 11891728 | SiC/ZrC composite fiber, preparation method and use thereof | — | — |
| 10364193 | Method for synthesizing high-purity ultrafine ZrC—SiC composite powder | — | — |
Reference
Frequently Asked Questions
Common questions about ZrC, answered from cross-validated data.
What is the band gap of ZrC?
ZrC has a DFT-computed band gap of 0.48 eV across 275 reported structures.
More questions
Is ZrC a metal, semiconductor, or insulator?
With a band gap up to 0.48 eV it is a semiconductor.
Is ZrC thermodynamically stable?
Yes — ZrC sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of ZrC are known?
275 structures of ZrC are reported across 4 databases, spanning 37 distinct space groups.
How is ZrC synthesized?
Literature-reported routes for ZrC include sol gel, solid state (9 procedures documented).
What elements does ZrC contain?
ZrC contains C and Zr (2 elements).
Where does the data for ZrC come from?
ZrC 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
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