As2Pb3O8
As2Pb3O8 is a stable, insulating inorganic oxide compound containing lead and arsenic.
About As2Pb3O8
As2Pb3O8 is a complex inorganic compound composed of arsenic, lead, and oxygen. As a thermodynamically stable phase located on the convex hull, it represents a robust crystalline arrangement that maintains structural integrity under standard conditions.
This material functions as a wide-gap insulator, characterized by its electronic properties that prevent significant electrical conductivity. Its stability and structural variety, evidenced by multiple documented configurations, make it a subject of interest for fundamental research into lead-arsenic oxide systems.
Key Properties
Cross-validated computational properties for As2Pb3O8, 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 As2Pb3O8. 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 As2Pb3O8, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 3.49 | 0.0000 | -1.405 | — |
| — | — | 3.49 | 0.0000 | -1.557 | — |
| P21/c (No. 14) | monoclinic | 3.31 | 0.0000 | -6.354 | 7.47 |
| — | — | 3.11 | 0.0007 | -1.556 | — |
| P21/c (No. 14) | monoclinic | — | — | — | 7.64 |
| P21/c (No. 14) | monoclinic | — | — | — | 7.62 |
| P21/c (No. 14) | monoclinic | — | — | — | 7.08 |
| P21/c (No. 14) | monoclinic | — | — | — | 7.28 |
Frequently Asked Questions
Common questions about As2Pb3O8, answered from cross-validated data.
What is As2Pb3O8?
As2Pb3O8 is a stable, insulating inorganic oxide compound containing lead and arsenic.
What is the band gap of As2Pb3O8?
Is As2Pb3O8 a metal, semiconductor, or insulator?
Is As2Pb3O8 thermodynamically stable?
What is the crystal structure of As2Pb3O8?
How many polymorphs of As2Pb3O8 are known?
What elements does As2Pb3O8 contain?
Where does the data for As2Pb3O8 come from?
How It Compares
As a distinct inorganic phase, As2Pb3O8 occupies a unique position in the landscape of lead-arsenic oxides. Without direct structural siblings in this specific classification, it serves as a primary reference point for understanding the thermodynamic landscape of complex metal-metalloid oxides.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- 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)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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