SiPbO2
This compound is a mixed metal oxide containing lead and silicon. It is primarily studied in the context of materials science research for its structural properties and potential behavior in specialized ceramic or glass systems.
OPbSi
Overview
Key Properties
Cross-validated computational properties for SiPbO2, 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.
2.44–2.66 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.
0.007 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.
9
3 databases, 5 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for SiPbO2, 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. |
|---|---|---|---|---|---|
| C2/c (No. 15) | monoclinic | 2.66 | 0.0068 | -6.937 | 6.55 |
| C2 (No. 5) | monoclinic | 2.44 | 0.0080 | -6.935 | 6.59 |
| P21/m (No. 11) | Monoclinic | — | — | — | 4.12 |
| P21/m (No. 11) | Monoclinic | — | — | — | 4.87 |
| P-1 (No. 2) | Triclinic | — | — | — | 7.49 |
| P-1 (No. 2) | Triclinic | — | — | — | 6.98 |
| P-1 (No. 2) | Triclinic | — | — | — | 5.59 |
| P-1 (No. 2) | Triclinic | — | — | — | 8.71 |
| P4mm (No. 99) | — | — | — | — | — |
Uses
Applications
Where SiPbO2 is used.
Materials science researchSolid-state chemistry studiesCeramic precursor investigations
Reference
Frequently Asked Questions
Common questions about SiPbO2, answered from cross-validated data.
What is SiPbO2?
This compound is a mixed metal oxide containing lead and silicon. It is primarily studied in the context of materials science research for its structural properties and potential behavior in specialized ceramic or glass systems.
What is SiPbO2 used for?
SiPbO2 is used in materials science research, solid-state chemistry studies, and ceramic precursor investigations.
What is the band gap of SiPbO2?
SiPbO2 has a DFT-computed band gap of 2.44–2.66 eV across 9 reported structures.
Is SiPbO2 a metal, semiconductor, or insulator?
With a band gap up to 2.66 eV it is a semiconductor.
Is SiPbO2 thermodynamically stable?
SiPbO2 has a lowest energy above hull of 0.007 eV/atom (near hull (likely stable)).
What is the crystal structure of SiPbO2?
The lowest-energy reported polymorph of SiPbO2 is monoclinic symmetry, space group C2/c (No. 15).
What is the density of SiPbO2?
The computed density of the ground-state structure of SiPbO2 is 6.55 g/cm³.
How many polymorphs of SiPbO2 are known?
9 structures of SiPbO2 are reported across 3 databases, spanning 5 distinct space groups.
What elements does SiPbO2 contain?
SiPbO2 contains O, Pb, and Si (3 elements).
Where does the data for SiPbO2 come from?
SiPbO2 data is cross-referenced from materials_project, mpaloe, jarvis.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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