H2PbO2
H2PbO2 is an unstable, semiconducting lead-based compound primarily studied for its complex structural properties.
About H2PbO2
H2PbO2 is a hydrogen-lead-oxygen compound that exhibits semiconducting electronic behavior. Its structural complexity is evidenced by its presence across multiple independent materials databases, reflecting significant interest in its atomic configuration despite its challenging synthesis profile.
As a material that resides above the thermodynamic hull, H2PbO2 is considered inherently unstable under standard conditions. This metastable nature makes it a subject of theoretical study for researchers investigating the limits of lead-based chemical bonding and the formation of complex hydroxides.
Key Properties
Cross-validated computational properties for H2PbO2, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of H2PbO2. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for H2PbO2, 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. |
|---|---|---|---|---|---|
| — | — | 0.00 | 0.0598 | -1.180 | — |
| — | — | 1.24 | 0.0841 | -1.156 | — |
| — | — | 2.29 | 0.0916 | -1.149 | — |
| Pnma (No. 62) | orthorhombic | 2.52 | 0.1051 | -0.990 | — |
| — | — | 2.66 | 0.1076 | -1.133 | — |
| Pnma (No. 62) | orthorhombic | 2.51 | 0.1718 | -5.264 | 4.77 |
| P2 (No. 3) | monoclinic | — | — | — | 9.67 |
| Cm (No. 8) | monoclinic | — | — | — | 7.16 |
| Pmm2 (No. 25) | orthorhombic | — | — | — | 7.83 |
| Cm (No. 8) | monoclinic | — | — | — | 7.72 |
| P2/m (No. 10) | monoclinic | — | — | — | 7.47 |
| Pmm2 (No. 25) | orthorhombic | — | — | — | 9.18 |
Frequently Asked Questions
Common questions about H2PbO2, answered from cross-validated data.
What is H2PbO2?
H2PbO2 is an unstable, semiconducting lead-based compound primarily studied for its complex structural properties.
What is the band gap of H2PbO2?
Is H2PbO2 a metal, semiconductor, or insulator?
Is H2PbO2 thermodynamically stable?
What is the crystal structure of H2PbO2?
How many polymorphs of H2PbO2 are known?
What elements does H2PbO2 contain?
Where does the data for H2PbO2 come from?
How It Compares
As a unique phase within its chemical system, H2PbO2 represents a specialized structural arrangement that does not easily conform to the stability trends seen in more common lead oxides. Its existence as a metastable semiconductor highlights the delicate balance of bonding interactions required to maintain its specific atomic framework.
Data sources & attribution
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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