B2Pb2S5
B2Pb2S5 is a stable, semiconducting ternary compound belonging to the lead chalcogenide family of materials.
About B2Pb2S5
B2Pb2S5 is a distinct semiconducting compound within the lead chalcogenide family. Its position on the thermodynamic convex hull indicates high stability, making it a reliable subject for structural and electronic investigation in materials science.
As a member of this chalcogenide class, it contributes to the broader understanding of how boron-lead-sulfur systems behave under varying conditions. Its semiconducting nature is of particular interest for researchers exploring new pathways for thermoelectric energy conversion.
Key Properties
Cross-validated computational properties for B2Pb2S5, aggregated across 5 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 B2Pb2S5. 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 B2Pb2S5, 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. |
|---|---|---|---|---|---|
| — | — | 1.74 | 0.0000 | -0.657 | — |
| P41212 (No. 92) | tetragonal | 1.66 | 0.0000 | -5.375 | 5.37 |
| P41212 (No. 92) | tetragonal | — | — | — | 5.52 |
| — | — | — | — | — | — |
| P41212 (No. 92) | tetragonal | — | — | — | 5.25 |
Applications
Where B2Pb2S5 is used.
Frequently Asked Questions
Common questions about B2Pb2S5, answered from cross-validated data.
What is B2Pb2S5?
B2Pb2S5 is a stable, semiconducting ternary compound belonging to the lead chalcogenide family of materials.
What is B2Pb2S5 used for?
What is the band gap of B2Pb2S5?
Is B2Pb2S5 a metal, semiconductor, or insulator?
Is B2Pb2S5 thermodynamically stable?
What is the crystal structure of B2Pb2S5?
What is the density of B2Pb2S5?
How many polymorphs of B2Pb2S5 are known?
What elements does B2Pb2S5 contain?
Where does the data for B2Pb2S5 come from?
How It Compares
Within the lead chalcogenide thermoelectrics class.
While binary compounds like PbS and PbSe are the most-studied members of the lead chalcogenide class, B2Pb2S5 represents a more complex ternary arrangement. Unlike the simpler PbS2 or Pb2S2 structures, this compound offers a unique stoichiometric balance that distinguishes its electronic landscape from the more common binary lead-sulfur phases.
Related Compounds
Other Lead Chalcogenide Thermoelectrics in the database.
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)
- 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)
- nomad — Data from NOMAD (nomad-lab.eu). Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019). (CC-BY-4.0)
- alexandria — Data from Alexandria. Cite: Schmidt et al., npj Comput. Mater. 10, 200 (2024). (CC-BY-4.0)
Analyze B2Pb2S5 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →