Gd8O28Zr8
Gd8O28Zr8 has a DFT band gap of 1.07–3.15 eV across 7 reported structures in 5 space groups. Cross-validated across 2 computational databases.
At a glance
Key Properties
Cross-validated computational properties for Gd8O28Zr8, 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.
1.07–3.15 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.
0.004 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.
7
2 databases, 5 space groups
Reference
Frequently Asked Questions
Common questions about Gd8O28Zr8, answered from cross-validated data.
What is the band gap of Gd8O28Zr8?
Gd8O28Zr8 has a DFT-computed band gap of 1.07–3.15 eV across 7 reported structures.
More questions
Is Gd8O28Zr8 a metal, semiconductor, or insulator?
With a wide band gap up to 3.15 eV it is an insulator / wide-band-gap material.
Is Gd8O28Zr8 thermodynamically stable?
Gd8O28Zr8 has a lowest energy above hull of 0.004 eV/atom (near hull (likely stable)).
How many polymorphs of Gd8O28Zr8 are known?
7 structures of Gd8O28Zr8 are reported across 2 databases, spanning 5 distinct space groups.
What elements does Gd8O28Zr8 contain?
Gd8O28Zr8 contains Gd, O, and Zr (3 elements).
Where does the data for Gd8O28Zr8 come from?
Gd8O28Zr8 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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