Sr2Si
Strontium silicide is an inorganic intermetallic compound composed of strontium and silicon. It is primarily studied for its structural properties and potential roles in advanced materials research.
Overview
Key Properties
Cross-validated computational properties for Sr2Si, aggregated across 4 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.
0.34 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.
24
4 databases, 10 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Sr2Si, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 0.34 | 0.0000 | -13.455 | 3.37 |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0779 | -13.377 | 3.52 |
| Cmm2 (No. 35) | Orthorhombic | — | — | — | 2.21 |
| C2 (No. 5) | Monoclinic | — | — | — | 2.10 |
| C2 (No. 5) | Monoclinic | — | — | — | 2.12 |
| P1 (No. 1) | Triclinic | — | — | — | 2.28 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.01 |
| P-1 (No. 2) | Triclinic | — | — | — | 1.88 |
| P-1 (No. 2) | Triclinic | — | — | — | 1.63 |
| P63/mmc (No. 194) | — | — | — | — | — |
| Cm (No. 8) | Monoclinic | — | — | — | 2.47 |
| Pnma (No. 62) | — | — | — | — | — |
Uses
Applications
Where Sr2Si is used.
Materials science researchSolid-state chemistry studies
Reference
Frequently Asked Questions
Common questions about Sr2Si, answered from cross-validated data.
What is Sr2Si?
Strontium silicide is an inorganic intermetallic compound composed of strontium and silicon. It is primarily studied for its structural properties and potential roles in advanced materials research.
More questions
What is Sr2Si used for?
Sr2Si is used in materials science research and solid-state chemistry studies.
What is the band gap of Sr2Si?
Sr2Si has a DFT-computed band gap of 0.34 eV across 24 reported structures.
Is Sr2Si a metal, semiconductor, or insulator?
With a band gap up to 0.34 eV it is a semiconductor.
Is Sr2Si thermodynamically stable?
Yes — Sr2Si sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Sr2Si?
The lowest-energy reported polymorph of Sr2Si is orthorhombic symmetry, space group Pnma (No. 62).
What is the density of Sr2Si?
The computed density of the ground-state structure of Sr2Si is 3.37 g/cm³.
How many polymorphs of Sr2Si are known?
24 structures of Sr2Si are reported across 4 databases, spanning 10 distinct space groups.
What elements does Sr2Si contain?
Sr2Si contains Si and Sr (2 elements).
Where does the data for Sr2Si come from?
Sr2Si data is cross-referenced from materials_project, mpaloe, jarvis, cod.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
Analyze Sr2Si in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →