La2Hf2O7
La2Hf2O7 has a DFT band gap of 4.29 eV across 6 reported structures in 2 space groups. Cross-validated across 2 computational databases.
At a glance
Key Properties
Cross-validated computational properties for La2Hf2O7, 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.
4.29 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)
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
6
2 databases, 2 space groups
Synthesis
Synthesis Routes
Literature-extracted synthesis procedures targeting La2Hf2O7.
Solid State
Procedure available · ceder_solid_state
Solid State
Procedure available · ceder_solid_state
Solid State
Procedure available · ceder_solid_state
Solid State
Procedure available · ceder_solid_state
Solid State
Procedure available · ceder_solid_state
Solid State
Procedure available · ceder_solid_state
Reference
Frequently Asked Questions
Common questions about La2Hf2O7, answered from cross-validated data.
What is the band gap of La2Hf2O7?
La2Hf2O7 has a DFT-computed band gap of 4.29 eV across 6 reported structures.
More questions
Is La2Hf2O7 a metal, semiconductor, or insulator?
With a wide band gap up to 4.29 eV it is an insulator / wide-band-gap material.
Is La2Hf2O7 thermodynamically stable?
Yes — La2Hf2O7 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of La2Hf2O7 are known?
6 structures of La2Hf2O7 are reported across 2 databases, spanning 2 distinct space groups.
How is La2Hf2O7 synthesized?
Literature-reported routes for La2Hf2O7 include solid state (6 procedures documented).
What elements does La2Hf2O7 contain?
La2Hf2O7 contains Hf, La, and O (3 elements).
Where does the data for La2Hf2O7 come from?
La2Hf2O7 data is cross-referenced from latticegraph.
Explore
Related Compounds
Other Fluorite Oxide-Ion Conductors in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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