NaAgC2
This compound is a complex metallic carbide containing sodium and silver. It is primarily studied for its unique structural properties and bonding characteristics in solid-state chemistry research.
AgCNa
Overview
Key Properties
Cross-validated computational properties for NaAgC2, 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.
1.20 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.
0.455 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.
5
3 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for NaAgC2, 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. |
|---|---|---|---|---|---|
| P4/mmm (No. 123) | tetragonal | 1.20 | 0.4549 | -10.778 | 3.36 |
| Amm2 (No. 38) | Orthorhombic | — | — | — | 3.73 |
| Amm2 (No. 38) | Orthorhombic | — | — | — | 3.91 |
| Amm2 (No. 38) | Orthorhombic | — | — | — | 3.93 |
| P4/mmm (No. 123) | — | — | — | — | — |
Uses
Applications
Where NaAgC2 is used.
Academic researchMaterials science studies
Reference
Frequently Asked Questions
Common questions about NaAgC2, answered from cross-validated data.
What is NaAgC2?
This compound is a complex metallic carbide containing sodium and silver. It is primarily studied for its unique structural properties and bonding characteristics in solid-state chemistry research.
More questions
What is NaAgC2 used for?
NaAgC2 is used in academic research and materials science studies.
What is the band gap of NaAgC2?
NaAgC2 has a DFT-computed band gap of 1.20 eV across 5 reported structures.
Is NaAgC2 a metal, semiconductor, or insulator?
With a band gap up to 1.20 eV it is a semiconductor.
Is NaAgC2 thermodynamically stable?
NaAgC2 has a lowest energy above hull of 0.455 eV/atom (above hull).
What is the crystal structure of NaAgC2?
The lowest-energy reported polymorph of NaAgC2 is tetragonal symmetry, space group P4/mmm (No. 123).
What is the density of NaAgC2?
The computed density of the ground-state structure of NaAgC2 is 3.36 g/cm³.
How many polymorphs of NaAgC2 are known?
5 structures of NaAgC2 are reported across 3 databases, spanning 2 distinct space groups.
What elements does NaAgC2 contain?
NaAgC2 contains Ag, C, and Na (3 elements).
Where does the data for NaAgC2 come from?
NaAgC2 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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