SnNF
This compound is a tin-based nitrogen-fluorine inorganic material. It is primarily studied in the context of advanced materials science research for its unique structural properties.
FNSn
Overview
Key Properties
Cross-validated computational properties for SnNF, aggregated across 2 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.
0.93 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.
0.315 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
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
13
2 databases, 7 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for SnNF, 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 | 0.93 | 0.3147 | -6.132 | 5.12 |
| Pmmn (No. 59) | Orthorhombic | — | — | — | 7.29 |
| P21/m (No. 11) | Monoclinic | — | — | — | 3.83 |
| P21/m (No. 11) | Monoclinic | — | — | — | 4.75 |
| Pmma (No. 51) | Orthorhombic | — | — | — | 8.50 |
| P21/m (No. 11) | Monoclinic | — | — | — | 7.28 |
| P21/m (No. 11) | Monoclinic | — | — | — | 5.17 |
| P21/m (No. 11) | Monoclinic | — | — | — | 4.93 |
| P2/m (No. 10) | Monoclinic | — | — | — | 4.35 |
| Pmma (No. 51) | Orthorhombic | — | — | — | 5.99 |
| Pmma (No. 51) | Orthorhombic | — | — | — | 4.36 |
| P21 (No. 4) | Monoclinic | — | — | — | 5.30 |
Uses
Applications
Where SnNF is used.
Materials science researchSolid-state chemistry studies
Reference
Frequently Asked Questions
Common questions about SnNF, answered from cross-validated data.
What is SnNF?
This compound is a tin-based nitrogen-fluorine inorganic material. It is primarily studied in the context of advanced materials science research for its unique structural properties.
More questions
What is SnNF used for?
SnNF is used in materials science research and solid-state chemistry studies.
What is the band gap of SnNF?
SnNF has a DFT-computed band gap of 0.93 eV across 13 reported structures.
Is SnNF a metal, semiconductor, or insulator?
With a band gap up to 0.93 eV it is a semiconductor.
Is SnNF thermodynamically stable?
SnNF has a lowest energy above hull of 0.315 eV/atom (above hull).
What is the crystal structure of SnNF?
The lowest-energy reported polymorph of SnNF is monoclinic symmetry, space group C2/m (No. 12).
What is the density of SnNF?
The computed density of the ground-state structure of SnNF is 5.12 g/cm³.
How many polymorphs of SnNF are known?
13 structures of SnNF are reported across 2 databases, spanning 7 distinct space groups.
What elements does SnNF contain?
SnNF contains F, N, and Sn (3 elements).
Where does the data for SnNF come from?
SnNF data is cross-referenced from materials_project, mpaloe.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
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