Cd4P56Pb4
This complex inorganic material is a quaternary compound composed of cadmium, phosphorus, and lead. It is primarily utilized in advanced materials research for studying semiconductor properties and structural crystallography.
CdPPb
Overview
Key Properties
Cross-validated computational properties for Cd4P56Pb4, 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.
1.04–1.37 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.
6
3 databases, 1 space group
Crystallography
Reported Structures
Lowest-energy structures reported for Cd4P56Pb4, 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 | 1.37 | 0.0000 | -12.730 | 3.46 |
| Pnma (No. 62) | orthorhombic | 1.04 | 0.0857 | -12.644 | 2.81 |
| Pnma (No. 62) | orthorhombic | 0.00 | 0.2333 | -12.496 | 3.30 |
| — | — | — | — | — | 2.66 |
| Pnma (No. 62) | — | — | — | — | — |
| — | — | — | — | — | 2.86 |
Uses
Applications
Where Cd4P56Pb4 is used.
Materials science researchSemiconductor developmentCrystallographic studies
Reference
Frequently Asked Questions
Common questions about Cd4P56Pb4, answered from cross-validated data.
What is Cd4P56Pb4?
This complex inorganic material is a quaternary compound composed of cadmium, phosphorus, and lead. It is primarily utilized in advanced materials research for studying semiconductor properties and structural crystallography.
More questions
What is Cd4P56Pb4 used for?
Cd4P56Pb4 is used in materials science research, semiconductor development, and crystallographic studies.
What is the band gap of Cd4P56Pb4?
Cd4P56Pb4 has a DFT-computed band gap of 1.04–1.37 eV across 6 reported structures.
Is Cd4P56Pb4 a metal, semiconductor, or insulator?
With a band gap up to 1.37 eV it is a semiconductor.
Is Cd4P56Pb4 thermodynamically stable?
Yes — Cd4P56Pb4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Cd4P56Pb4?
The lowest-energy reported polymorph of Cd4P56Pb4 is orthorhombic symmetry, space group Pnma (No. 62).
What is the density of Cd4P56Pb4?
The computed density of the ground-state structure of Cd4P56Pb4 is 3.46 g/cm³.
How many polymorphs of Cd4P56Pb4 are known?
6 structures of Cd4P56Pb4 are reported across 3 databases, spanning 1 distinct space group.
What elements does Cd4P56Pb4 contain?
Cd4P56Pb4 contains Cd, P, and Pb (3 elements).
Where does the data for Cd4P56Pb4 come from?
Cd4P56Pb4 data is cross-referenced from materials_project, omat24, aflow.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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