K12O2S12Si4
This complex inorganic compound is a potassium-based thio-silicate material. It is primarily utilized in advanced materials research for exploring structural chemistry and potential ionic conductivity properties.
KOSSi
Overview
Key Properties
Cross-validated computational properties for K12O2S12Si4, 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.
3.15 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)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
3
3 databases, 1 space group
Crystallography
Reported Structures
Lowest-energy structures reported for K12O2S12Si4, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 3.15 | 0.0000 | -4.743 | 2.09 |
| P21/c (No. 14) | — | — | — | — | — |
| — | — | — | — | — | 1.75 |
Uses
Applications
Where K12O2S12Si4 is used.
Materials science researchSolid-state chemistry studiesExploratory synthesis of chalcogenide frameworks
Reference
Frequently Asked Questions
Common questions about K12O2S12Si4, answered from cross-validated data.
What is K12O2S12Si4?
This complex inorganic compound is a potassium-based thio-silicate material. It is primarily utilized in advanced materials research for exploring structural chemistry and potential ionic conductivity properties.
More questions
What is K12O2S12Si4 used for?
K12O2S12Si4 is used in materials science research, solid-state chemistry studies, and exploratory synthesis of chalcogenide frameworks.
What is the band gap of K12O2S12Si4?
K12O2S12Si4 has a DFT-computed band gap of 3.15 eV across 3 reported structures.
Is K12O2S12Si4 a metal, semiconductor, or insulator?
With a wide band gap up to 3.15 eV it is an insulator / wide-band-gap material.
Is K12O2S12Si4 thermodynamically stable?
Yes — K12O2S12Si4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of K12O2S12Si4?
The lowest-energy reported polymorph of K12O2S12Si4 is monoclinic symmetry, space group P21/c (No. 14).
What is the density of K12O2S12Si4?
The computed density of the ground-state structure of K12O2S12Si4 is 2.09 g/cm³.
How many polymorphs of K12O2S12Si4 are known?
3 structures of K12O2S12Si4 are reported across 3 databases, spanning 1 distinct space group.
What elements does K12O2S12Si4 contain?
K12O2S12Si4 contains K, O, S, and Si (4 elements).
Where does the data for K12O2S12Si4 come from?
K12O2S12Si4 data is cross-referenced from materials_project, aflow, omat24.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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