K2CdN12
K2CdN12 is a semiconducting ternary nitride compound that exists as a metastable phase in materials databases.
About K2CdN12
K2CdN12 is a complex ternary nitride featuring potassium, cadmium, and nitrogen. As a semiconducting material, it represents a niche composition within the broader landscape of metal-nitrogen frameworks, drawing interest for its unique electronic configuration.
Despite its existence in multiple structural databases, the compound is identified as being above the thermodynamic hull. This suggests that while it can be modeled or synthesized under specific conditions, it remains a metastable phase that requires careful consideration regarding its long-term stability.
Key Properties
Cross-validated computational properties for K2CdN12, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of K2CdN12. 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.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for K2CdN12, 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. |
|---|---|---|---|---|---|
| C2/m (No. 12) | monoclinic | 2.86 | 0.0540 | -9.511 | 2.34 |
| — | — | 2.92 | 0.1237 | -0.036 | — |
| C2/m (No. 12) | monoclinic | 2.90 | 0.1239 | -9.441 | 1.95 |
| C2/m (No. 12) | monoclinic | 2.83 | 0.2127 | 0.087 | — |
| C2/m (No. 12) | monoclinic | — | — | — | 2.35 |
| C2/m (No. 12) | monoclinic | — | — | — | 1.96 |
| C2/m (No. 12) | monoclinic | — | — | — | 2.43 |
| C2/m (No. 12) | monoclinic | — | — | — | 1.95 |
| C2/m (No. 12) | monoclinic | — | — | — | 2.34 |
| C2/m (No. 12) | monoclinic | — | — | — | 2.02 |
Applications
Where K2CdN12 is used.
Frequently Asked Questions
Common questions about K2CdN12, answered from cross-validated data.
What is K2CdN12?
K2CdN12 is a semiconducting ternary nitride compound that exists as a metastable phase in materials databases.
What is K2CdN12 used for?
What is the band gap of K2CdN12?
Is K2CdN12 a metal, semiconductor, or insulator?
Is K2CdN12 thermodynamically stable?
What is the crystal structure of K2CdN12?
What is the density of K2CdN12?
How many polymorphs of K2CdN12 are known?
What elements does K2CdN12 contain?
Where does the data for K2CdN12 come from?
How It Compares
As a unique ternary nitride, K2CdN12 occupies a specialized position in materials science where few direct analogs exist. Unlike more common binary nitrides, this compound serves as an exploratory candidate for investigating how cadmium and potassium interact within a nitrogen-rich lattice.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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