Ag2Mg2O4
This compound is a complex oxide containing silver and magnesium. It is primarily studied in materials science research for its structural properties and potential roles in advanced electronic or catalytic applications.
AgMgO
Overview
Key Properties
Cross-validated computational properties for Ag2Mg2O4, aggregated across 2 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.
0.32–0.63 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.
0.064 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.
Metastable
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
18
2 databases, 13 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Ag2Mg2O4, 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. |
|---|---|---|---|---|---|
| Pbcm (No. 57) | orthorhombic | 0.45 | 0.0636 | -4.945 | 5.63 |
| I41/amd (No. 141) | tetragonal | 0.63 | 0.0770 | -4.931 | 4.65 |
| Imma (No. 74) | orthorhombic | 0.00 | 0.1005 | -4.908 | 5.46 |
| I41/a (No. 88) | tetragonal | 0.44 | 0.1037 | -4.905 | 5.34 |
| Cm (No. 8) | monoclinic | 0.00 | 0.1127 | -4.896 | 5.28 |
| Cm (No. 8) | monoclinic | 0.00 | 0.1158 | -4.893 | 5.27 |
| R3m (No. 160) | trigonal | 0.00 | 0.1244 | -4.884 | 5.25 |
| P-1 (No. 2) | triclinic | 0.32 | 0.1315 | -4.877 | 4.89 |
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.1347 | -4.874 | 5.87 |
| P3m1 (No. 156) | trigonal | 0.00 | 0.1519 | -4.856 | 5.22 |
| P3m1 (No. 156) | trigonal | 0.00 | 0.1781 | -4.830 | 5.20 |
| Pnma (No. 62) | orthorhombic | 0.00 | 0.1951 | -4.813 | 5.80 |
Uses
Applications
Where Ag2Mg2O4 is used.
Materials science researchCatalysis studiesSolid-state chemistry
Reference
Frequently Asked Questions
Common questions about Ag2Mg2O4, answered from cross-validated data.
What is Ag2Mg2O4?
This compound is a complex oxide containing silver and magnesium. It is primarily studied in materials science research for its structural properties and potential roles in advanced electronic or catalytic applications.
More questions
What is Ag2Mg2O4 used for?
Ag2Mg2O4 is used in materials science research, catalysis studies, and solid-state chemistry.
What is the band gap of Ag2Mg2O4?
Ag2Mg2O4 has a DFT-computed band gap of 0.32–0.63 eV across 18 reported structures.
Is Ag2Mg2O4 a metal, semiconductor, or insulator?
With a band gap up to 0.63 eV it is a semiconductor.
Is Ag2Mg2O4 thermodynamically stable?
Ag2Mg2O4 has a lowest energy above hull of 0.064 eV/atom (metastable).
What is the crystal structure of Ag2Mg2O4?
The lowest-energy reported polymorph of Ag2Mg2O4 is orthorhombic symmetry, space group Pbcm (No. 57).
What is the density of Ag2Mg2O4?
The computed density of the ground-state structure of Ag2Mg2O4 is 5.63 g/cm³.
How many polymorphs of Ag2Mg2O4 are known?
18 structures of Ag2Mg2O4 are reported across 2 databases, spanning 13 distinct space groups.
What elements does Ag2Mg2O4 contain?
Ag2Mg2O4 contains Ag, Mg, and O (3 elements).
Where does the data for Ag2Mg2O4 come from?
Ag2Mg2O4 data is cross-referenced from materials_project, omat24.
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).
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