Ca4O8Pb2
This compound is a complex oxide containing calcium and lead. It is primarily studied in materials science research for its structural properties and potential roles in advanced ceramic or electronic material development.
CaOPb
Overview
Key Properties
Cross-validated computational properties for Ca4O8Pb2, 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.
1.48 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)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
3
3 databases, 1 space group
Crystallography
Reported Structures
Lowest-energy structures reported for Ca4O8Pb2, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| Pbam (No. 55) | orthorhombic | 1.48 | 0.0000 | -6.482 | 6.01 |
| Pbam (No. 55) | — | — | — | — | — |
| — | — | — | — | — | 4.75 |
Uses
Applications
Where Ca4O8Pb2 is used.
Materials science researchSolid-state chemistry studiesCeramic precursor development
Reference
Frequently Asked Questions
Common questions about Ca4O8Pb2, answered from cross-validated data.
What is Ca4O8Pb2?
This compound is a complex oxide containing calcium and lead. It is primarily studied in materials science research for its structural properties and potential roles in advanced ceramic or electronic material development.
More questions
What is Ca4O8Pb2 used for?
Ca4O8Pb2 is used in materials science research, solid-state chemistry studies, and ceramic precursor development.
What is the band gap of Ca4O8Pb2?
Ca4O8Pb2 has a DFT-computed band gap of 1.48 eV across 3 reported structures.
Is Ca4O8Pb2 a metal, semiconductor, or insulator?
With a band gap up to 1.48 eV it is a semiconductor.
Is Ca4O8Pb2 thermodynamically stable?
Yes — Ca4O8Pb2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Ca4O8Pb2?
The lowest-energy reported polymorph of Ca4O8Pb2 is orthorhombic symmetry, space group Pbam (No. 55).
What is the density of Ca4O8Pb2?
The computed density of the ground-state structure of Ca4O8Pb2 is 6.01 g/cm³.
How many polymorphs of Ca4O8Pb2 are known?
3 structures of Ca4O8Pb2 are reported across 3 databases, spanning 1 distinct space group.
What elements does Ca4O8Pb2 contain?
Ca4O8Pb2 contains Ca, O, and Pb (3 elements).
Where does the data for Ca4O8Pb2 come from?
Ca4O8Pb2 data is cross-referenced from materials_project, aflow, omat24.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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