O16P4Pb6
O16P4Pb6 is a stable, insulating lead phosphate compound known for its structural diversity and thermodynamic robustness.
About O16P4Pb6
O16P4Pb6 is a lead phosphate compound characterized by its wide-band-gap insulating electronic profile. As a material that resides on the convex hull, it exhibits significant thermodynamic stability, making it a robust candidate for structural and chemical investigations in solid-state chemistry.
Due to its high structural diversity, this compound has been documented across multiple databases, reflecting its importance in understanding lead-based phosphate frameworks. Its insulating nature and stable configuration suggest potential utility in specialized dielectric or optical applications where material longevity is critical.
Key Properties
Cross-validated computational properties for O16P4Pb6, 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.
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 O16P4Pb6, 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 | 3.38 | 0.0000 | -7.070 | 6.84 |
| C2/c (No. 15) | monoclinic | 3.53 | 0.0039 | -7.066 | 7.33 |
| P-3 (No. 147) | trigonal | 3.21 | 0.0094 | -7.060 | 6.40 |
| P3 (No. 143) | trigonal | 3.21 | 0.0104 | -7.059 | 6.72 |
| Pc (No. 7) | monoclinic | 3.25 | 0.0129 | -7.057 | 6.39 |
| C2/m (No. 12) | monoclinic | 3.30 | 0.0347 | -7.035 | 7.29 |
| R-3m (No. 166) | trigonal | 3.35 | 0.0356 | -7.034 | 7.34 |
| — | — | — | — | — | 6.55 |
| C2/c (No. 15) | — | — | — | — | — |
| C2/c (No. 15) | — | — | — | — | — |
| C2/c (No. 15) | — | — | — | — | — |
| C2/c (No. 15) | — | — | — | — | — |
Frequently Asked Questions
Common questions about O16P4Pb6, answered from cross-validated data.
What is O16P4Pb6?
O16P4Pb6 is a stable, insulating lead phosphate compound known for its structural diversity and thermodynamic robustness.
What is the band gap of O16P4Pb6?
Is O16P4Pb6 a metal, semiconductor, or insulator?
Is O16P4Pb6 thermodynamically stable?
What is the crystal structure of O16P4Pb6?
What is the density of O16P4Pb6?
How many polymorphs of O16P4Pb6 are known?
What elements does O16P4Pb6 contain?
Where does the data for O16P4Pb6 come from?
How It Compares
As a thermodynamically stable lead phosphate, O16P4Pb6 serves as a foundational reference point within its chemical class. It represents a highly ordered phase that highlights the structural complexity achievable in lead-oxygen-phosphorus systems, providing a benchmark for stability against which other, less stable phosphate phases can be evaluated.
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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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