CaAgO2
CaAgO2 is a thermodynamically stable semiconducting oxide containing calcium and silver.
About CaAgO2
CaAgO2 is a thermodynamically stable inorganic compound composed of calcium, silver, and oxygen. As a member of the oxide class, it exhibits semiconducting electronic behavior, making it a subject of interest for fundamental materials research and potential electronic applications. Its position on the convex hull indicates high thermodynamic stability, which is a critical factor for its synthesis and long-term structural integrity. The compound is supported by a significant body of structural data across multiple databases, reflecting its importance in contemporary solid-state chemistry. Researchers study this material to better understand the interplay between its constituent elements and its resulting electronic properties.
Key Properties
Cross-validated computational properties for CaAgO2, 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 CaAgO2, 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. |
|---|---|---|---|---|---|
| I41/a (No. 88) | tetragonal | 0.93 | 0.0000 | -5.270 | 5.88 |
| Cmme (No. 67) | orthorhombic | 0.00 | 0.0000 | -5.589 | 5.60 |
| Cmmm (No. 65) | orthorhombic | 0.00 | 0.0143 | -5.575 | 5.63 |
| P4/mmm (No. 123) | tetragonal | 0.00 | 0.0311 | -5.558 | 5.52 |
| Pbcm (No. 57) | orthorhombic | 0.94 | 0.0340 | -5.236 | 5.46 |
| Pmmn (No. 59) | orthorhombic | 0.00 | 0.1246 | -5.145 | 4.68 |
| I41/amd (No. 141) | tetragonal | 0.49 | 0.1347 | -5.135 | 4.52 |
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.1478 | -5.122 | 5.84 |
| P-1 (No. 2) | triclinic | 0.70 | 0.1632 | -5.107 | 4.85 |
| Pnma (No. 62) | orthorhombic | 0.00 | 0.1848 | -5.085 | 5.80 |
| R3m (No. 160) | trigonal | 0.00 | 0.2053 | -5.064 | 5.08 |
| Cm (No. 8) | monoclinic | 0.00 | 0.2277 | -5.042 | 5.13 |
Applications
Where CaAgO2 is used.
Frequently Asked Questions
Common questions about CaAgO2, answered from cross-validated data.
What is CaAgO2?
CaAgO2 is a thermodynamically stable semiconducting oxide containing calcium and silver.
What is CaAgO2 used for?
What is the band gap of CaAgO2?
Is CaAgO2 a metal, semiconductor, or insulator?
Is CaAgO2 thermodynamically stable?
What is the crystal structure of CaAgO2?
What is the density of CaAgO2?
How many polymorphs of CaAgO2 are known?
What elements does CaAgO2 contain?
Where does the data for CaAgO2 come from?
How It Compares
As a thermodynamically stable semiconducting oxide, CaAgO2 represents a distinct structural configuration within the broader landscape of ternary silver-based oxides. While it does not share its specific structural class with other common compounds in this database, its stability and electronic profile position it as a foundational material for investigating the behavior of silver in oxygen-rich environments.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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