Ca1Pb1Se2
Ca1Pb1Se2 has a DFT band gap of 0.75 eV across 26 reported structures in 14 space groups. Cross-validated across 2 computational databases.
At a glance
Key Properties
Cross-validated computational properties for Ca1Pb1Se2, 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.
0.75 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.
0.010 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.
26
2 databases, 14 space groups
Reference
Frequently Asked Questions
Common questions about Ca1Pb1Se2, answered from cross-validated data.
What is the band gap of Ca1Pb1Se2?
Ca1Pb1Se2 has a DFT-computed band gap of 0.75 eV across 26 reported structures.
More questions
Is Ca1Pb1Se2 a metal, semiconductor, or insulator?
With a band gap up to 0.75 eV it is a semiconductor.
Is Ca1Pb1Se2 thermodynamically stable?
Ca1Pb1Se2 has a lowest energy above hull of 0.010 eV/atom (near hull (likely stable)).
How many polymorphs of Ca1Pb1Se2 are known?
26 structures of Ca1Pb1Se2 are reported across 2 databases, spanning 14 distinct space groups.
What elements does Ca1Pb1Se2 contain?
Ca1Pb1Se2 contains Ca, Pb, and Se (3 elements).
Where does the data for Ca1Pb1Se2 come from?
Ca1Pb1Se2 data is cross-referenced from latticegraph.
Explore
Related Compounds
Other Lead Chalcogenide Thermoelectrics in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
Analyze Ca1Pb1Se2 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →