La12O42Zr12
La12O42Zr12 has a DFT band gap of 0.06–3.73 eV across 5 reported structures in 2 space groups. Cross-validated across 2 computational databases.
At a glance
Key Properties
Cross-validated computational properties for La12O42Zr12, 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.
0.06–3.73 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.
5
2 databases, 2 space groups
Reference
Frequently Asked Questions
Common questions about La12O42Zr12, answered from cross-validated data.
What is the band gap of La12O42Zr12?
La12O42Zr12 has a DFT-computed band gap of 0.06–3.73 eV across 5 reported structures.
More questions
Is La12O42Zr12 a metal, semiconductor, or insulator?
With a wide band gap up to 3.73 eV it is an insulator / wide-band-gap material.
Is La12O42Zr12 thermodynamically stable?
Yes — La12O42Zr12 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of La12O42Zr12 are known?
5 structures of La12O42Zr12 are reported across 2 databases, spanning 2 distinct space groups.
What elements does La12O42Zr12 contain?
La12O42Zr12 contains La, O, and Zr (3 elements).
Where does the data for La12O42Zr12 come from?
La12O42Zr12 data is cross-referenced from latticegraph.
Explore
Related Compounds
Other Perovskite Oxides in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
Analyze La12O42Zr12 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →