H8Ba4Cu8O36P8
H8Ba4Cu8O36P8 has a DFT band gap of 0.18 eV across 3 reported structures in 2 space groups. Cross-validated across 3 computational databases.
At a glance
Key Properties
Cross-validated computational properties for H8Ba4Cu8O36P8, aggregated across 3 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.
0.18 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.
0.009 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.
3
3 databases, 2 space groups
Reference
Frequently Asked Questions
Common questions about H8Ba4Cu8O36P8, answered from cross-validated data.
What is the band gap of H8Ba4Cu8O36P8?
H8Ba4Cu8O36P8 has a DFT-computed band gap of 0.18 eV across 3 reported structures.
More questions
Is H8Ba4Cu8O36P8 a metal, semiconductor, or insulator?
With a band gap up to 0.18 eV it is a semiconductor.
Is H8Ba4Cu8O36P8 thermodynamically stable?
H8Ba4Cu8O36P8 has a lowest energy above hull of 0.009 eV/atom (near hull (likely stable)).
How many polymorphs of H8Ba4Cu8O36P8 are known?
3 structures of H8Ba4Cu8O36P8 are reported across 3 databases, spanning 2 distinct space groups.
What elements does H8Ba4Cu8O36P8 contain?
H8Ba4Cu8O36P8 contains Ba, Cu, H, O, and P (5 elements).
Where does the data for H8Ba4Cu8O36P8 come from?
H8Ba4Cu8O36P8 data is cross-referenced from latticegraph.
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Related Compounds
Other Cuprate Superconductors in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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