C4Ta4
C4Ta4 has a DFT band gap of Metallic / not reported across 22 reported structures in 7 space groups. Cross-validated across 5 computational databases.
At a glance
Key Properties
Cross-validated computational properties for C4Ta4, aggregated across 5 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.
0.000 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)
3 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
22
5 databases, 7 space groups
Reference
Frequently Asked Questions
Common questions about C4Ta4, answered from cross-validated data.
What is the band gap of C4Ta4?
C4Ta4 is computed to be metallic (no band gap) in the reported DFT structures.
More questions
Is C4Ta4 a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is C4Ta4 thermodynamically stable?
Yes — C4Ta4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of C4Ta4 are known?
22 structures of C4Ta4 are reported across 5 databases, spanning 7 distinct space groups.
What elements does C4Ta4 contain?
C4Ta4 contains C and Ta (2 elements).
Where does the data for C4Ta4 come from?
C4Ta4 data is cross-referenced from latticegraph.
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Related Compounds
Other Ultra-High-Temperature Ceramics in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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