Si3Os2
This inorganic compound is a metallic silicide composed of osmium and silicon. It is primarily studied in the field of materials science for its structural properties and potential behavior in extreme environments.
Overview
Key Properties
Cross-validated computational properties for Si3Os2, 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.
0.86–1.11 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.
25
3 databases, 10 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Si3Os2, 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. |
|---|---|---|---|---|---|
| Pbcn (No. 60) | orthorhombic | 0.86 | 0.0000 | -26.927 | 10.99 |
| P-4c2 (No. 116) | tetragonal | 1.11 | 0.0367 | -26.890 | 10.99 |
| P1 (No. 1) | Triclinic | — | — | — | 8.33 |
| R3m (No. 160) | Trigonal | — | — | — | 9.31 |
| P1 (No. 1) | Triclinic | — | — | — | 9.01 |
| P1 (No. 1) | Triclinic | — | — | — | 8.03 |
| Cm (No. 8) | Monoclinic | — | — | — | 9.38 |
| C222 (No. 21) | Orthorhombic | — | — | — | 8.54 |
| P1 (No. 1) | Triclinic | — | — | — | 9.10 |
| Pbcn (No. 60) | — | — | — | — | — |
| P-4c2 (No. 116) | — | — | — | — | — |
| Cm (No. 8) | Monoclinic | — | — | — | 8.76 |
Uses
Applications
Where Si3Os2 is used.
Materials science researchSolid-state chemistry studies
Reference
Frequently Asked Questions
Common questions about Si3Os2, answered from cross-validated data.
What is Si3Os2?
This inorganic compound is a metallic silicide composed of osmium and silicon. It is primarily studied in the field of materials science for its structural properties and potential behavior in extreme environments.
More questions
What is Si3Os2 used for?
Si3Os2 is used in materials science research and solid-state chemistry studies.
What is the band gap of Si3Os2?
Si3Os2 has a DFT-computed band gap of 0.86–1.11 eV across 25 reported structures.
Is Si3Os2 a metal, semiconductor, or insulator?
With a band gap up to 1.11 eV it is a semiconductor.
Is Si3Os2 thermodynamically stable?
Yes — Si3Os2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Si3Os2?
The lowest-energy reported polymorph of Si3Os2 is orthorhombic symmetry, space group Pbcn (No. 60).
What is the density of Si3Os2?
The computed density of the ground-state structure of Si3Os2 is 10.99 g/cm³.
How many polymorphs of Si3Os2 are known?
25 structures of Si3Os2 are reported across 3 databases, spanning 10 distinct space groups.
What elements does Si3Os2 contain?
Si3Os2 contains Os and Si (2 elements).
Where does the data for Si3Os2 come from?
Si3Os2 data is cross-referenced from materials_project, mpaloe, jarvis.
Explore
Related Compounds
Other Silicon Anode Materials in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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