Ag2Br10Pb4
This inorganic compound is a complex halide material composed of silver, lead, and bromine. It is primarily studied for its structural properties and potential utility in advanced optoelectronic research.
AgBrPb
Overview
Key Properties
Cross-validated computational properties for Ag2Br10Pb4, 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.
1.93 eV
Range across DFT structures
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.
0.036 eV/atom
Best (lowest) across sources
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.
Metastable
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
3
3 databases, 1 space group
Crystallography
Reported Structures
Lowest-energy structures reported for Ag2Br10Pb4, 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 | 1.93 | 0.0358 | -3.406 | 6.28 |
| C2/c (No. 15) | — | — | — | — | — |
| — | — | — | — | — | 4.66 |
Uses
Applications
Where Ag2Br10Pb4 is used.
Materials science researchSolid-state chemistry studiesOptoelectronic device development
Reference
Frequently Asked Questions
Common questions about Ag2Br10Pb4, answered from cross-validated data.
What is Ag2Br10Pb4?
This inorganic compound is a complex halide material composed of silver, lead, and bromine. It is primarily studied for its structural properties and potential utility in advanced optoelectronic research.
What is Ag2Br10Pb4 used for?
Ag2Br10Pb4 is used in materials science research, solid-state chemistry studies, and optoelectronic device development.
What is the band gap of Ag2Br10Pb4?
Ag2Br10Pb4 has a DFT-computed band gap of 1.93 eV across 3 reported structures.
Is Ag2Br10Pb4 a metal, semiconductor, or insulator?
With a band gap up to 1.93 eV it is a semiconductor.
Is Ag2Br10Pb4 thermodynamically stable?
Ag2Br10Pb4 has a lowest energy above hull of 0.036 eV/atom (metastable).
What is the crystal structure of Ag2Br10Pb4?
The lowest-energy reported polymorph of Ag2Br10Pb4 is monoclinic symmetry, space group C2/c (No. 15).
What is the density of Ag2Br10Pb4?
The computed density of the ground-state structure of Ag2Br10Pb4 is 6.28 g/cm³.
How many polymorphs of Ag2Br10Pb4 are known?
3 structures of Ag2Br10Pb4 are reported across 3 databases, spanning 1 distinct space group.
What elements does Ag2Br10Pb4 contain?
Ag2Br10Pb4 contains Ag, Br, and Pb (3 elements).
Where does the data for Ag2Br10Pb4 come from?
Ag2Br10Pb4 data is cross-referenced from materials_project, aflow, omat24.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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