Ca2SnN2
Ca2SnN2 is a thermodynamically stable, semimetallic ternary nitride compound.
About Ca2SnN2
Ca2SnN2 is a thermodynamically stable ternary nitride that occupies a significant position on the convex hull. Its electronic character is defined as near-zero-gap, placing it in the semimetallic regime, which distinguishes it from typical insulating or semiconducting nitrides.
Because it is a well-reported structure, this compound serves as a key reference point for researchers studying the intersection of alkaline-earth metals and pnictogens. Its stability suggests potential for synthesis and integration into advanced electronic material studies.
Key Properties
Cross-validated computational properties for Ca2SnN2, 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 Ca2SnN2, 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. |
|---|---|---|---|---|---|
| Cmce (No. 64) | orthorhombic | 0.02 | 0.0000 | -5.744 | 4.29 |
| C2 (No. 5) | monoclinic | 0.00 | 0.1323 | -5.612 | 4.38 |
| C2 (No. 5) | — | — | — | — | — |
| C2 (No. 5) | Monoclinic | — | — | — | 4.38 |
| C2 (No. 5) | Monoclinic | — | — | — | 4.49 |
| Cmce (No. 64) | Orthorhombic | — | — | — | 4.41 |
| C2 (No. 5) | Monoclinic | — | — | — | 4.47 |
| Cmce (No. 64) | Orthorhombic | — | — | — | 4.29 |
| Cmce (No. 64) | Orthorhombic | — | — | — | 4.36 |
Applications
Where Ca2SnN2 is used.
Frequently Asked Questions
Common questions about Ca2SnN2, answered from cross-validated data.
What is Ca2SnN2?
Ca2SnN2 is a thermodynamically stable, semimetallic ternary nitride compound.
What is Ca2SnN2 used for?
What is the band gap of Ca2SnN2?
Is Ca2SnN2 a metal, semiconductor, or insulator?
Is Ca2SnN2 thermodynamically stable?
What is the crystal structure of Ca2SnN2?
What is the density of Ca2SnN2?
How many polymorphs of Ca2SnN2 are known?
What elements does Ca2SnN2 contain?
Where does the data for Ca2SnN2 come from?
How It Compares
As a thermodynamically stable semimetallic nitride, Ca2SnN2 serves as a foundational example for this specific chemical composition, providing a baseline for understanding how calcium and tin interact with nitrogen to produce near-zero-gap electronic behavior.
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.
Analyze Ca2SnN2 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →