Ag16Gd16Se32
Ag16Gd16Se32 is a semimetallic ternary chalcogenide that is theoretically stable and potentially synthesizable for materials science applications.
About Ag16Gd16Se32
Ag16Gd16Se32 is a complex ternary chalcogenide featuring silver, gadolinium, and selenium. Its electronic character is defined as a near-zero-gap semimetal, placing it in a unique position between traditional semiconductors and metallic conductors.
This compound is considered thermodynamically stable and sits near the convex hull, suggesting it is a viable candidate for experimental synthesis. Its structural complexity and electronic properties make it a noteworthy subject for researchers investigating novel chalcogenide systems.
Key Properties
Cross-validated computational properties for Ag16Gd16Se32, 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 Ag16Gd16Se32, 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. |
|---|---|---|---|---|---|
| P-3m1 (No. 164) | trigonal | 0.00 | 0.0185 | -24.715 | 7.18 |
| I41md (No. 109) | tetragonal | 0.06 | 0.0213 | -24.713 | 6.99 |
| No. 0 | unknown | — | — | — | 0.88 |
| — | — | — | — | — | 6.90 |
| — | — | — | — | — | 6.90 |
Applications
Where Ag16Gd16Se32 is used.
Frequently Asked Questions
Common questions about Ag16Gd16Se32, answered from cross-validated data.
What is Ag16Gd16Se32?
Ag16Gd16Se32 is a semimetallic ternary chalcogenide that is theoretically stable and potentially synthesizable for materials science applications.
What is Ag16Gd16Se32 used for?
What is the band gap of Ag16Gd16Se32?
Is Ag16Gd16Se32 a metal, semiconductor, or insulator?
Is Ag16Gd16Se32 thermodynamically stable?
What is the crystal structure of Ag16Gd16Se32?
What is the density of Ag16Gd16Se32?
How many polymorphs of Ag16Gd16Se32 are known?
What elements does Ag16Gd16Se32 contain?
Where does the data for Ag16Gd16Se32 come from?
How It Compares
As a member of the ternary silver-gadolinium-selenium system, this compound represents a specific stoichiometric arrangement within a broader landscape of complex chalcogenides. It serves as a foundational example of how rare-earth elements and transition metals can be combined to tune electronic behavior in multi-component inorganic solids.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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