ScAgO2
Scandium silver oxide is a ternary inorganic compound that belongs to the delafossite structural family. It is primarily studied in materials science research for its potential electronic and optical properties in thin-film applications.
AgOSc
Overview
Key Properties
Cross-validated computational properties for ScAgO2, 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.
1.79–2.13 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.
0.000 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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
9
3 databases, 4 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for ScAgO2, 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 | 2.13 | 0.0000 | -7.392 | 5.54 |
| R-3m (No. 166) | trigonal | 2.07 | 0.0001 | -7.392 | 5.53 |
| R3m (No. 160) | trigonal | 1.79 | 0.1083 | -7.284 | 5.65 |
| P-1 (No. 2) | Triclinic | — | — | — | 5.15 |
| P-1 (No. 2) | Triclinic | — | — | — | 6.26 |
| P-1 (No. 2) | Triclinic | — | — | — | 6.24 |
| R3m (No. 160) | — | — | — | — | — |
| P63/mmc (No. 194) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
Uses
Applications
Where ScAgO2 is used.
Materials science researchSemiconductor developmentThin-film device studies
Reference
Frequently Asked Questions
Common questions about ScAgO2, answered from cross-validated data.
What is ScAgO2?
Scandium silver oxide is a ternary inorganic compound that belongs to the delafossite structural family. It is primarily studied in materials science research for its potential electronic and optical properties in thin-film applications.
More questions
What is ScAgO2 used for?
ScAgO2 is used in materials science research, semiconductor development, and thin-film device studies.
What is the band gap of ScAgO2?
ScAgO2 has a DFT-computed band gap of 1.79–2.13 eV across 9 reported structures.
Is ScAgO2 a metal, semiconductor, or insulator?
With a band gap up to 2.13 eV it is a semiconductor.
Is ScAgO2 thermodynamically stable?
Yes — ScAgO2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of ScAgO2?
The lowest-energy reported polymorph of ScAgO2 is hexagonal symmetry, space group P63/mmc (No. 194).
What is the density of ScAgO2?
The computed density of the ground-state structure of ScAgO2 is 5.54 g/cm³.
How many polymorphs of ScAgO2 are known?
9 structures of ScAgO2 are reported across 3 databases, spanning 4 distinct space groups.
What elements does ScAgO2 contain?
ScAgO2 contains Ag, O, and Sc (3 elements).
Where does the data for ScAgO2 come from?
ScAgO2 data is cross-referenced from materials_project, mpaloe, jarvis.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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