Ca2Pb
Calcium plumbide is an intermetallic compound formed from calcium and lead. It is primarily studied for its structural properties and its role in fundamental materials science research regarding binary metallic systems.
CaPb
Overview
Key Properties
Cross-validated computational properties for Ca2Pb, aggregated across 4 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.
0.65 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)
3 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
21
4 databases, 4 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Ca2Pb, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 0.00 | 0.0000 | -3.126 | 4.87 |
| Fm-3m (No. 225) | cubic | 0.65 | 0.0141 | -3.111 | 4.34 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.19 |
| — | — | — | — | — | 4.31 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.38 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.84 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 4.87 |
| — | — | — | — | — | 4.31 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 4.87 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 4.78 |
| Fm-3m (No. 225) | — | — | — | — | — |
| Pnma (No. 62) | — | — | — | — | — |
Uses
Applications
Where Ca2Pb is used.
Materials science researchAlloy development studies
Reference
Frequently Asked Questions
Common questions about Ca2Pb, answered from cross-validated data.
What is Ca2Pb?
Calcium plumbide is an intermetallic compound formed from calcium and lead. It is primarily studied for its structural properties and its role in fundamental materials science research regarding binary metallic systems.
More questions
What is Ca2Pb used for?
Ca2Pb is used in materials science research and alloy development studies.
What is the band gap of Ca2Pb?
Ca2Pb has a DFT-computed band gap of 0.65 eV across 21 reported structures.
Is Ca2Pb a metal, semiconductor, or insulator?
With a band gap up to 0.65 eV it is a semiconductor.
Is Ca2Pb thermodynamically stable?
Yes — Ca2Pb sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Ca2Pb?
The lowest-energy reported polymorph of Ca2Pb is orthorhombic symmetry, space group Pnma (No. 62).
What is the density of Ca2Pb?
The computed density of the ground-state structure of Ca2Pb is 4.87 g/cm³.
How many polymorphs of Ca2Pb are known?
21 structures of Ca2Pb are reported across 4 databases, spanning 4 distinct space groups.
What elements does Ca2Pb contain?
Ca2Pb contains Ca and Pb (2 elements).
Where does the data for Ca2Pb come from?
Ca2Pb data is cross-referenced from materials_project, mpaloe, omat24, jarvis.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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