Hf8O40Y16
Hf8O40Y16 has a DFT band gap of 4.05–4.56 eV across 6 reported structures in 4 space groups. Cross-validated across 2 computational databases.
At a glance
Key Properties
Cross-validated computational properties for Hf8O40Y16, 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.
4.05–4.56 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.
0.001 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.
Near hull (likely stable)
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
6
2 databases, 4 space groups
Reference
Frequently Asked Questions
Common questions about Hf8O40Y16, answered from cross-validated data.
What is the band gap of Hf8O40Y16?
Hf8O40Y16 has a DFT-computed band gap of 4.05–4.56 eV across 6 reported structures.
More questions
Is Hf8O40Y16 a metal, semiconductor, or insulator?
With a wide band gap up to 4.56 eV it is an insulator / wide-band-gap material.
Is Hf8O40Y16 thermodynamically stable?
Hf8O40Y16 has a lowest energy above hull of 0.001 eV/atom (near hull (likely stable)).
How many polymorphs of Hf8O40Y16 are known?
6 structures of Hf8O40Y16 are reported across 2 databases, spanning 4 distinct space groups.
What elements does Hf8O40Y16 contain?
Hf8O40Y16 contains Hf, O, and Y (3 elements).
Where does the data for Hf8O40Y16 come from?
Hf8O40Y16 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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