Ba8Ca2O30Zr10
Ba8Ca2O30Zr10 has a DFT band gap of 3.03–3.14 eV across 5 reported structures in 4 space groups. Cross-validated across 2 computational databases.
At a glance
Key Properties
Cross-validated computational properties for Ba8Ca2O30Zr10, 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.
3.03–3.14 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.
0.028 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.
Metastable
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
5
2 databases, 4 space groups
Reference
Frequently Asked Questions
Common questions about Ba8Ca2O30Zr10, answered from cross-validated data.
What is the band gap of Ba8Ca2O30Zr10?
Ba8Ca2O30Zr10 has a DFT-computed band gap of 3.03–3.14 eV across 5 reported structures.
More questions
Is Ba8Ca2O30Zr10 a metal, semiconductor, or insulator?
With a wide band gap up to 3.14 eV it is an insulator / wide-band-gap material.
Is Ba8Ca2O30Zr10 thermodynamically stable?
Ba8Ca2O30Zr10 has a lowest energy above hull of 0.028 eV/atom (metastable).
How many polymorphs of Ba8Ca2O30Zr10 are known?
5 structures of Ba8Ca2O30Zr10 are reported across 2 databases, spanning 4 distinct space groups.
What elements does Ba8Ca2O30Zr10 contain?
Ba8Ca2O30Zr10 contains Ba, Ca, O, and Zr (4 elements).
Where does the data for Ba8Ca2O30Zr10 come from?
Ba8Ca2O30Zr10 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
Analyze Ba8Ca2O30Zr10 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →