PbCO2
PbCO2 has a DFT band gap of 2.79 eV across 3 reported structures in 3 space groups. Cross-validated across 3 computational databases.
COPb
At a glance
Key Properties
Cross-validated computational properties for PbCO2, 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.
2.79 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.
0.063 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.
3
3 databases, 3 space groups
Reference
Frequently Asked Questions
Common questions about PbCO2, answered from cross-validated data.
What is the band gap of PbCO2?
PbCO2 has a DFT-computed band gap of 2.79 eV across 3 reported structures.
More questions
Is PbCO2 a metal, semiconductor, or insulator?
With a band gap up to 2.79 eV it is a semiconductor.
Is PbCO2 thermodynamically stable?
PbCO2 has a lowest energy above hull of 0.063 eV/atom (metastable).
How many polymorphs of PbCO2 are known?
3 structures of PbCO2 are reported across 3 databases, spanning 3 distinct space groups.
What elements does PbCO2 contain?
PbCO2 contains C, O, and Pb (3 elements).
Where does the data for PbCO2 come from?
PbCO2 data is cross-referenced from latticegraph.
Reading
Related Research
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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