Ag2Ba2Sb2
Ag2Ba2Sb2 is a thermodynamically stable semimetallic compound containing silver, barium, and antimony.
About Ag2Ba2Sb2
Ag2Ba2Sb2 is a complex ternary compound composed of silver, barium, and antimony. It is characterized as a thermodynamically stable phase that sits directly on the convex hull, indicating a robust structural configuration under standard conditions. Its electronic nature is that of a near-zero-gap semimetal, which places it in a unique category of materials that bridge the gap between metallic conductors and semiconductors. This electronic profile makes it a subject of interest for fundamental studies in condensed matter physics and electronic transport phenomena. Given its multiple reported structures across various databases, it represents a well-documented system for researchers investigating the interplay between heavy elements and electronic band structures. Its stability and distinct electronic character suggest potential utility in specialized electronic or thermoelectric applications where precise control over charge carrier behavior is required.
Key Properties
Cross-validated computational properties for Ag2Ba2Sb2, 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.
Reported Structures
Lowest-energy structures reported for Ag2Ba2Sb2, 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. |
|---|---|---|---|---|---|
| P63/mmc (No. 194) | hexagonal | 0.04 | 0.0000 | -3.809 | 6.33 |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.4367 | -3.372 | 6.10 |
| — | — | — | — | — | 6.02 |
| P63/mmc (No. 194) | — | — | — | — | — |
| — | — | — | — | — | 6.13 |
Applications
Where Ag2Ba2Sb2 is used.
Frequently Asked Questions
Common questions about Ag2Ba2Sb2, answered from cross-validated data.
What is Ag2Ba2Sb2?
Ag2Ba2Sb2 is a thermodynamically stable semimetallic compound containing silver, barium, and antimony.
What is Ag2Ba2Sb2 used for?
What is the band gap of Ag2Ba2Sb2?
Is Ag2Ba2Sb2 a metal, semiconductor, or insulator?
Is Ag2Ba2Sb2 thermodynamically stable?
What is the crystal structure of Ag2Ba2Sb2?
What is the density of Ag2Ba2Sb2?
How many polymorphs of Ag2Ba2Sb2 are known?
What elements does Ag2Ba2Sb2 contain?
Where does the data for Ag2Ba2Sb2 come from?
How It Compares
As a distinct ternary phase, Ag2Ba2Sb2 serves as a foundational example of silver-barium-antimony chemistry. While it lacks direct structural siblings in this specific grouping, its position as a stable semimetallic compound provides a benchmark for evaluating the stability and electronic properties of similar intermetallic systems containing heavy p-block elements.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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