LiH4SNO4
This compound is a complex inorganic salt containing lithium, nitrogen, sulfur, and oxygen. It is primarily studied in the context of advanced materials research, particularly for its potential role in solid-state ion transport systems.
HLiNOS
Overview
Key Properties
Cross-validated computational properties for LiH4SNO4, 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.
5.37–5.43 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.
0.000 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.
On hull (stable)
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
7
3 databases, 4 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for LiH4SNO4, 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. |
|---|---|---|---|---|---|
| Pca21 (No. 29) | orthorhombic | 5.37 | 0.0000 | -5.822 | 1.90 |
| P21/c (No. 14) | monoclinic | 5.43 | 0.0044 | -5.817 | 1.97 |
| Pna21 (No. 33) | orthorhombic | 5.38 | 0.0049 | -5.817 | 1.83 |
| Pna21 (No. 33) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 0.47 |
| No. 0 | unknown | — | — | — | 0.46 |
| No. 0 | unknown | — | — | — | 0.46 |
Uses
Applications
Where LiH4SNO4 is used.
Solid-state electrolyte researchLithium-ion battery material developmentInorganic chemical synthesis
Reference
Frequently Asked Questions
Common questions about LiH4SNO4, answered from cross-validated data.
What is LiH4SNO4?
This compound is a complex inorganic salt containing lithium, nitrogen, sulfur, and oxygen. It is primarily studied in the context of advanced materials research, particularly for its potential role in solid-state ion transport systems.
More questions
What is LiH4SNO4 used for?
LiH4SNO4 is used in solid-state electrolyte research, lithium-ion battery material development, and inorganic chemical synthesis.
What is the band gap of LiH4SNO4?
LiH4SNO4 has a DFT-computed band gap of 5.37–5.43 eV across 7 reported structures.
Is LiH4SNO4 a metal, semiconductor, or insulator?
With a wide band gap up to 5.43 eV it is an insulator / wide-band-gap material.
Is LiH4SNO4 thermodynamically stable?
Yes — LiH4SNO4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of LiH4SNO4?
The lowest-energy reported polymorph of LiH4SNO4 is orthorhombic symmetry, space group Pca21 (No. 29).
What is the density of LiH4SNO4?
The computed density of the ground-state structure of LiH4SNO4 is 1.90 g/cm³.
How many polymorphs of LiH4SNO4 are known?
7 structures of LiH4SNO4 are reported across 3 databases, spanning 4 distinct space groups.
What elements does LiH4SNO4 contain?
LiH4SNO4 contains H, Li, N, O, and S (5 elements).
Where does the data for LiH4SNO4 come from?
LiH4SNO4 data is cross-referenced from materials_project, jarvis, cod.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
Analyze LiH4SNO4 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →