O12Pb4Te4
Lead tellurite · Lead(II) tellurite
Lead tellurite is an inorganic compound composed of lead, tellurium, and oxygen. It is primarily studied for its potential roles in specialized glass manufacturing and as a precursor material for electronic or optical components.
OPbTe
Overview
Key Properties
Cross-validated computational properties for Lead tellurite, 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.
2.68–3.21 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
4 databases, 3 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for O12Pb4Te4, 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 | 3.21 | 0.0000 | -5.891 | 7.23 |
| P41 (No. 76) | tetragonal | 2.68 | 0.0027 | -5.888 | 7.42 |
| No. 0 | unknown | — | — | — | 1.35 |
| No. 0 | unknown | — | — | — | 0.91 |
| — | — | — | — | — | 6.91 |
| P41 (No. 76) | — | — | — | — | — |
Uses
Applications
Where Lead tellurite is used.
Specialty glass productionSemiconductor researchOptical materials development
Reference
Frequently Asked Questions
Common questions about Lead tellurite, answered from cross-validated data.
What is O12Pb4Te4?
Lead tellurite is an inorganic compound composed of lead, tellurium, and oxygen. It is primarily studied for its potential roles in specialized glass manufacturing and as a precursor material for electronic or optical components.
More questions
What is O12Pb4Te4 used for?
Lead tellurite (O12Pb4Te4) is used in specialty glass production, semiconductor research, and optical materials development.
What is the band gap of O12Pb4Te4?
Lead tellurite (O12Pb4Te4) has a DFT-computed band gap of 2.68–3.21 eV across 6 reported structures.
Is O12Pb4Te4 a metal, semiconductor, or insulator?
With a wide band gap up to 3.21 eV it is an insulator / wide-band-gap material.
Is O12Pb4Te4 thermodynamically stable?
Yes — Lead tellurite (O12Pb4Te4) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of O12Pb4Te4?
The lowest-energy reported polymorph of Lead tellurite (O12Pb4Te4) is monoclinic symmetry, space group C2/c (No. 15).
What is the density of O12Pb4Te4?
The computed density of the ground-state structure of Lead tellurite (O12Pb4Te4) is 7.23 g/cm³.
How many polymorphs of O12Pb4Te4 are known?
6 structures of O12Pb4Te4 are reported across 4 databases, spanning 3 distinct space groups.
What elements does O12Pb4Te4 contain?
Lead tellurite (O12Pb4Te4) contains O, Pb, and Te (3 elements).
Where does the data for O12Pb4Te4 come from?
O12Pb4Te4 data is cross-referenced from materials_project, cod, omat24, aflow.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- 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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