ClHOPb
ClHOPb is a stable, wide-gap insulating compound composed of lead, chlorine, oxygen, and hydrogen.
About ClHOPb
ClHOPb is a lead-based inorganic compound that exhibits insulating electronic characteristics. As a thermodynamically stable material located on the convex hull, it represents a robust structural configuration within its chemical system.
Its stability and wide-gap nature make it an interesting subject for fundamental research into lead-based halides and hydroxides. The material is characterized by its structural diversity, with multiple reported configurations documented in scientific databases.
Key Properties
Cross-validated computational properties for ClHOPb, 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 ClHOPb. Tight agreement means computed properties can be trusted without re-running calculations.
Only 1 independent DFT source (materials_project) reports a hull energy for ClHOPb, so cross-source agreement can't be assessed yet.
Reported Structures
Lowest-energy structures reported for ClHOPb, 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/m (No. 12) | monoclinic | 2.90 | 0.1343 | -4.791 | 6.08 |
| Pnma (No. 62) | orthorhombic | 3.30 | 0.1364 | -4.789 | 6.17 |
| C2/m (No. 12) | monoclinic | — | — | — | 5.82 |
| C2/m (No. 12) | monoclinic | — | — | — | 6.16 |
| Pnma (No. 62) | orthorhombic | — | — | — | 6.18 |
| R3m (No. 160) | trigonal | — | — | — | 5.53 |
| Pnma (No. 62) | orthorhombic | — | — | — | 6.18 |
| Pnma (No. 62) | orthorhombic | — | — | — | 6.22 |
| Pnma (No. 62) | orthorhombic | — | — | — | 5.88 |
| Pnma (No. 62) | orthorhombic | — | — | — | 6.18 |
| Pnma (No. 62) | orthorhombic | — | — | — | 6.18 |
| Pnma (No. 62) | orthorhombic | — | — | — | 6.18 |
Frequently Asked Questions
Common questions about ClHOPb, answered from cross-validated data.
What is ClHOPb?
ClHOPb is a stable, wide-gap insulating compound composed of lead, chlorine, oxygen, and hydrogen.
What is the band gap of ClHOPb?
Is ClHOPb a metal, semiconductor, or insulator?
Is ClHOPb thermodynamically stable?
What is the crystal structure of ClHOPb?
What is the density of ClHOPb?
How many polymorphs of ClHOPb are known?
What elements does ClHOPb contain?
Where does the data for ClHOPb come from?
How It Compares
As a distinct lead-based compound, ClHOPb occupies a unique position within its chemical space. It serves as a stable reference point for understanding the interplay between lead, oxygen, and chlorine in complex solid-state architectures.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- alexandria — Data from Alexandria. Cite: Schmidt et al., npj Comput. Mater. 10, 200 (2024). (CC-BY-4.0)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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