Au2Ge2Sc2
Au2Ge2Sc2 is a thermodynamically stable semiconducting ternary compound containing gold, germanium, and scandium.
About Au2Ge2Sc2
Au2Ge2Sc2 is a distinct ternary compound composed of gold, germanium, and scandium. As a thermodynamically stable material situated on the convex hull, it represents a robust structural arrangement that is of significant interest for fundamental materials research.
Characterized as a semiconductor, this compound offers intriguing electronic properties that distinguish it from simple metallic alloys. Its existence across multiple structural databases highlights its role as a stable building block for exploring complex ternary phase spaces.
Key Properties
Cross-validated computational properties for Au2Ge2Sc2, aggregated across 4 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 Au2Ge2Sc2, 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. |
|---|---|---|---|---|---|
| P63mc (No. 186) | hexagonal | 0.00 | 0.0000 | -26.076 | 9.32 |
| F-43m (No. 216) | cubic | 0.27 | 0.0293 | -26.046 | 8.38 |
| — | — | — | — | — | 8.65 |
| No. 0 | unknown | — | — | — | 4.75 |
| P63mc (No. 186) | — | — | — | — | — |
Applications
Where Au2Ge2Sc2 is used.
Frequently Asked Questions
Common questions about Au2Ge2Sc2, answered from cross-validated data.
What is Au2Ge2Sc2?
Au2Ge2Sc2 is a thermodynamically stable semiconducting ternary compound containing gold, germanium, and scandium.
What is Au2Ge2Sc2 used for?
What is the band gap of Au2Ge2Sc2?
Is Au2Ge2Sc2 a metal, semiconductor, or insulator?
Is Au2Ge2Sc2 thermodynamically stable?
What is the crystal structure of Au2Ge2Sc2?
What is the density of Au2Ge2Sc2?
How many polymorphs of Au2Ge2Sc2 are known?
What elements does Au2Ge2Sc2 contain?
Where does the data for Au2Ge2Sc2 come from?
How It Compares
As a unique ternary phase, Au2Ge2Sc2 serves as a foundational example of how gold, germanium, and scandium can integrate into a stable semiconducting framework, providing a benchmark for future investigations into similar multi-element systems.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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