B24Cd8O48Pb4
This complex inorganic compound belongs to the class of borates containing heavy metal cations. It is primarily studied for its structural properties and potential utility in advanced materials research.
BCdOPb
Overview
Key Properties
Cross-validated computational properties for B24Cd8O48Pb4, 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.
3.58 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.
0.003 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.
3
3 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for B24Cd8O48Pb4, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 3.58 | 0.0033 | -7.489 | 4.98 |
| — | — | — | — | — | 3.54 |
| No. 0 | unknown | — | — | — | 1.30 |
Uses
Applications
Where B24Cd8O48Pb4 is used.
Materials science researchCrystallographic studiesSolid-state chemistry
Reference
Frequently Asked Questions
Common questions about B24Cd8O48Pb4, answered from cross-validated data.
What is B24Cd8O48Pb4?
This complex inorganic compound belongs to the class of borates containing heavy metal cations. It is primarily studied for its structural properties and potential utility in advanced materials research.
More questions
What is B24Cd8O48Pb4 used for?
B24Cd8O48Pb4 is used in materials science research, crystallographic studies, and solid-state chemistry.
What is the band gap of B24Cd8O48Pb4?
B24Cd8O48Pb4 has a DFT-computed band gap of 3.58 eV across 3 reported structures.
Is B24Cd8O48Pb4 a metal, semiconductor, or insulator?
With a wide band gap up to 3.58 eV it is an insulator / wide-band-gap material.
Is B24Cd8O48Pb4 thermodynamically stable?
B24Cd8O48Pb4 has a lowest energy above hull of 0.003 eV/atom (near hull (likely stable)).
What is the crystal structure of B24Cd8O48Pb4?
The lowest-energy reported polymorph of B24Cd8O48Pb4 is monoclinic symmetry, space group P21/c (No. 14).
What is the density of B24Cd8O48Pb4?
The computed density of the ground-state structure of B24Cd8O48Pb4 is 4.98 g/cm³.
How many polymorphs of B24Cd8O48Pb4 are known?
3 structures of B24Cd8O48Pb4 are reported across 3 databases, spanning 2 distinct space groups.
What elements does B24Cd8O48Pb4 contain?
B24Cd8O48Pb4 contains B, Cd, O, and Pb (4 elements).
Where does the data for B24Cd8O48Pb4 come from?
B24Cd8O48Pb4 data is cross-referenced from materials_project, omat24, cod.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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