O12Pb4Sn4
O12Pb4Sn4 is a metastable semiconducting perovskite oxide composed of lead, tin, and oxygen.
About O12Pb4Sn4
O12Pb4Sn4 is a complex perovskite oxide that exhibits semiconducting electronic behavior. As a metastable phase, it represents an intriguing target for synthesis studies, offering a distinct structural arrangement within the broad family of oxide materials.
Its significance lies in its potential for specialized electronic applications where the interplay between lead and tin cations within an oxygen framework can be leveraged. Researchers study this compound to better understand the stability limits and phase transitions inherent in multi-cation perovskite systems.
Key Properties
Cross-validated computational properties for O12Pb4Sn4, 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.
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.
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.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for O12Pb4Sn4, 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. |
|---|---|---|---|---|---|
| Pbam (No. 55) | orthorhombic | 1.36 | 0.0763 | -6.315 | 8.79 |
| Pm-3m (No. 221) | cubic | 1.04 | 0.1168 | -6.274 | 8.83 |
| Fd-3m (No. 227) | cubic | 0.00 | 0.1553 | -6.236 | 7.98 |
| — | — | — | — | — | 8.79 |
| Pnma (No. 62) | orthorhombic | — | — | — | 1.62 |
| Pnma (No. 62) | orthorhombic | — | — | — | 1.66 |
| Fd-3m (No. 227) | — | — | — | — | — |
| Pnma (No. 62) | orthorhombic | — | — | — | 1.71 |
Applications
Where O12Pb4Sn4 is used.
Frequently Asked Questions
Common questions about O12Pb4Sn4, answered from cross-validated data.
What is O12Pb4Sn4?
O12Pb4Sn4 is a metastable semiconducting perovskite oxide composed of lead, tin, and oxygen.
What is O12Pb4Sn4 used for?
What is the band gap of O12Pb4Sn4?
Is O12Pb4Sn4 a metal, semiconductor, or insulator?
Is O12Pb4Sn4 thermodynamically stable?
What is the crystal structure of O12Pb4Sn4?
What is the density of O12Pb4Sn4?
How many polymorphs of O12Pb4Sn4 are known?
What elements does O12Pb4Sn4 contain?
Where does the data for O12Pb4Sn4 come from?
How It Compares
Within the perovskite oxides class.
Unlike the highly stable and widely utilized BaTiO3 or the magnetic perovskites like LaMnO3 and LaFeO3, O12Pb4Sn4 is characterized by its metastable nature. While many of its siblings, such as LaAlO3, are valued for their structural robustness and use as substrates, O12Pb4Sn4 occupies a more niche space, requiring precise control over synthesis conditions to stabilize its semiconducting lattice.
Related Compounds
Other Perovskite Oxides in the database.
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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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