Ca2CeNiO6
Ca2CeNiO6 has a DFT band gap of 1.45 eV across 5 reported structures in 1 space group. Cross-validated across 2 computational databases.
At a glance
Key Properties
Cross-validated computational properties for Ca2CeNiO6, 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.
1.45 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.
0.198 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
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
5
2 databases, 1 space group
Reference
Frequently Asked Questions
Common questions about Ca2CeNiO6, answered from cross-validated data.
What is the band gap of Ca2CeNiO6?
Ca2CeNiO6 has a DFT-computed band gap of 1.45 eV across 5 reported structures.
More questions
Is Ca2CeNiO6 a metal, semiconductor, or insulator?
With a band gap up to 1.45 eV it is a semiconductor.
Is Ca2CeNiO6 thermodynamically stable?
Ca2CeNiO6 has a lowest energy above hull of 0.198 eV/atom (above hull).
How many polymorphs of Ca2CeNiO6 are known?
5 structures of Ca2CeNiO6 are reported across 2 databases, spanning 1 distinct space group.
What elements does Ca2CeNiO6 contain?
Ca2CeNiO6 contains Ca, Ce, Ni, and O (4 elements).
Where does the data for Ca2CeNiO6 come from?
Ca2CeNiO6 data is cross-referenced from latticegraph.
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Related Compounds
Other Fluorite Oxide-Ion Conductors in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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