AgCO2
This compound is a silver-based chemical species containing carbon and oxygen. It is primarily studied in the context of coordination chemistry and specialized laboratory research regarding metal-organic interactions.
AgCO
Overview
Key Properties
Cross-validated computational properties for AgCO2, 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.
1.98–2.35 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.
0.221 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.
Above hull
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
12
4 databases, 7 space groups
Validation
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of AgCO2. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
1.00 / 1.00
Trust tier: medium
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
0.000 eV
EAH spread across sources
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
2
jarvis, materials_project
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
All match
Crystallography
Reported Structures
Lowest-energy structures reported for AgCO2, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 2.35 | 0.2215 | -6.598 | 4.49 |
| P21/c (No. 14) | monoclinic | 1.98 | 0.2464 | -6.573 | 4.68 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.33 |
| F222 (No. 22) | Orthorhombic | — | — | — | 5.10 |
| F222 (No. 22) | Orthorhombic | — | — | — | 5.37 |
| P21/c (No. 14) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 1.27 |
| P4mm (No. 99) | — | — | — | — | — |
| P-1 (No. 2) | Triclinic | — | — | — | 4.40 |
| P-1 (No. 2) | Triclinic | — | — | — | 5.86 |
| P-1 (No. 2) | Triclinic | — | — | — | 7.31 |
Uses
Applications
Where AgCO2 is used.
Chemical researchCoordination chemistry studies
Reference
Frequently Asked Questions
Common questions about AgCO2, answered from cross-validated data.
What is AgCO2?
This compound is a silver-based chemical species containing carbon and oxygen. It is primarily studied in the context of coordination chemistry and specialized laboratory research regarding metal-organic interactions.
More questions
What is AgCO2 used for?
AgCO2 is used in chemical research and coordination chemistry studies.
What is the band gap of AgCO2?
AgCO2 has a DFT-computed band gap of 1.98–2.35 eV across 12 reported structures.
Is AgCO2 a metal, semiconductor, or insulator?
With a band gap up to 2.35 eV it is a semiconductor.
Is AgCO2 thermodynamically stable?
AgCO2 has a lowest energy above hull of 0.221 eV/atom (above hull).
What is the crystal structure of AgCO2?
The lowest-energy reported polymorph of AgCO2 is monoclinic symmetry, space group P21/c (No. 14).
What is the density of AgCO2?
The computed density of the ground-state structure of AgCO2 is 4.49 g/cm³.
How many polymorphs of AgCO2 are known?
12 structures of AgCO2 are reported across 4 databases, spanning 7 distinct space groups.
What elements does AgCO2 contain?
AgCO2 contains Ag, C, and O (3 elements).
Where does the data for AgCO2 come from?
AgCO2 data is cross-referenced from materials_project, mpaloe, jarvis, cod.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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