Ag4Ba8Si12
Ag4Ba8Si12 is a thermodynamically stable, semimetallic ternary silicide composed of silver, barium, and silicon.
About Ag4Ba8Si12
Ag4Ba8Si12 is a complex ternary silicide that sits directly on the convex hull, indicating high thermodynamic stability. Its composition, involving silver, barium, and silicon, results in a distinct structural arrangement that is of significant interest for fundamental materials research.
Characterized as a near-zero-gap semimetallic material, this compound exhibits electronic properties that bridge the divide between metals and semiconductors. Its stability and unique electronic signature make it a noteworthy subject for studies into the behavior of ternary intermetallic phases.
Key Properties
Cross-validated computational properties for Ag4Ba8Si12, 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 Ag4Ba8Si12, 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. |
|---|---|---|---|---|---|
| Fddd (No. 70) | orthorhombic | 0.05 | 0.0000 | -4.261 | 4.82 |
| Fddd (No. 70) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 0.67 |
Frequently Asked Questions
Common questions about Ag4Ba8Si12, answered from cross-validated data.
What is Ag4Ba8Si12?
Ag4Ba8Si12 is a thermodynamically stable, semimetallic ternary silicide composed of silver, barium, and silicon.
What is the band gap of Ag4Ba8Si12?
Is Ag4Ba8Si12 a metal, semiconductor, or insulator?
Is Ag4Ba8Si12 thermodynamically stable?
What is the crystal structure of Ag4Ba8Si12?
What is the density of Ag4Ba8Si12?
How many polymorphs of Ag4Ba8Si12 are known?
What elements does Ag4Ba8Si12 contain?
Where does the data for Ag4Ba8Si12 come from?
How It Compares
As a distinct ternary phase, Ag4Ba8Si12 represents a specialized structural configuration within the broader landscape of silver-barium-silicon compounds, serving as a stable reference point for understanding how these elements interact in complex crystalline environments.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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