B4O24Pb12W2
This complex inorganic compound is a lead-based borotungstate material characterized by its specific crystalline structure. It is primarily utilized in advanced materials research for its unique optical and structural properties.
BOPbW
Overview
Key Properties
Cross-validated computational properties for B4O24Pb12W2, 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.
2.56 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.
0.002 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)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
5
3 databases, 1 space group
Crystallography
Reported Structures
Lowest-energy structures reported for B4O24Pb12W2, 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. |
|---|---|---|---|---|---|
| Cmcm (No. 63) | orthorhombic | 2.56 | 0.0018 | -7.133 | 7.39 |
| Cmcm (No. 63) | — | — | — | — | — |
| Cmcm (No. 63) | — | — | — | — | — |
| — | — | — | — | — | 6.82 |
| — | — | — | — | — | 6.82 |
Uses
Applications
Where B4O24Pb12W2 is used.
Materials science researchSolid-state chemistry studiesOptical materials development
Reference
Frequently Asked Questions
Common questions about B4O24Pb12W2, answered from cross-validated data.
What is B4O24Pb12W2?
This complex inorganic compound is a lead-based borotungstate material characterized by its specific crystalline structure. It is primarily utilized in advanced materials research for its unique optical and structural properties.
More questions
What is B4O24Pb12W2 used for?
B4O24Pb12W2 is used in materials science research, solid-state chemistry studies, and optical materials development.
What is the band gap of B4O24Pb12W2?
B4O24Pb12W2 has a DFT-computed band gap of 2.56 eV across 5 reported structures.
Is B4O24Pb12W2 a metal, semiconductor, or insulator?
With a band gap up to 2.56 eV it is a semiconductor.
Is B4O24Pb12W2 thermodynamically stable?
B4O24Pb12W2 has a lowest energy above hull of 0.002 eV/atom (near hull (likely stable)).
What is the crystal structure of B4O24Pb12W2?
The lowest-energy reported polymorph of B4O24Pb12W2 is orthorhombic symmetry, space group Cmcm (No. 63).
What is the density of B4O24Pb12W2?
The computed density of the ground-state structure of B4O24Pb12W2 is 7.39 g/cm³.
How many polymorphs of B4O24Pb12W2 are known?
5 structures of B4O24Pb12W2 are reported across 3 databases, spanning 1 distinct space group.
What elements does B4O24Pb12W2 contain?
B4O24Pb12W2 contains B, O, Pb, and W (4 elements).
Where does the data for B4O24Pb12W2 come from?
B4O24Pb12W2 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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