SiH
SiH is a metastable, semiconducting silicon-hydrogen compound investigated for its potential utility in advanced battery anode technologies.
About SiH
SiH is a metastable semiconducting compound composed of silicon and hydrogen. As a member of the silicon anode materials class, it represents an intriguing phase for energy storage research, characterized by its distinct electronic properties and structural flexibility.
Its significance lies in the ongoing effort to optimize silicon-based electrodes for next-generation batteries. By studying its diverse structural configurations, researchers aim to overcome the volume expansion challenges inherent in silicon-based anode technologies.
Key Properties
Cross-validated computational properties for SiH, 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.
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.
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.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of SiH. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for SiH, 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. |
|---|---|---|---|---|---|
| — | — | 2.15 | 0.0324 | 0.032 | — |
| P-3m1 (No. 164) | trigonal | 2.16 | 0.0413 | -6.078 | 1.30 |
| P-3m1 (No. 164) | trigonal | 2.05 | 0.0510 | 0.048 | — |
| — | — | 1.94 | 0.1907 | 0.191 | — |
| — | — | 0.00 | 0.3316 | 0.332 | — |
| — | — | 0.00 | 0.7360 | 0.736 | — |
| — | — | 0.00 | 0.8111 | 0.811 | — |
| — | — | 0.00 | 0.8183 | 0.818 | — |
| — | — | 0.00 | 0.8203 | 0.820 | — |
| — | — | 0.00 | 0.8235 | 0.824 | — |
| — | — | 0.00 | 0.8281 | 0.828 | — |
| P1 (No. 1) | triclinic | — | — | — | 2.36 |
Applications
Where SiH is used.
Patent Landscape
3 patents reference SiH or close compositional variants.
| Patent | Title | Assignee | Granted |
|---|---|---|---|
| 11485642 | SiH-free vinyldisilanes | — | — |
| 4861844 | Cationic catalysis process for the treatment of a polysilazane containing on average at least two .tbd.SiH gro | — | — |
| 4656300 | Process for a thermal treatment of a polysilazane containing .tbd.SiH groups and .tbd.Si--NH-- groups | — | — |
Frequently Asked Questions
Common questions about SiH, answered from cross-validated data.
What is SiH?
SiH is a metastable, semiconducting silicon-hydrogen compound investigated for its potential utility in advanced battery anode technologies.
What is SiH used for?
What is the band gap of SiH?
Is SiH a metal, semiconductor, or insulator?
Is SiH thermodynamically stable?
How many polymorphs of SiH are known?
What elements does SiH contain?
Where does the data for SiH come from?
How It Compares
Within the silicon anode materials class.
Within the broader class of silicon anode materials, SiH occupies a unique position compared to more conventional phases like elemental Si or intermetallic compounds such as Mg2Si and BaSi2. While materials like MoSi2 are often studied for their structural robustness, SiH is distinguished by its metastable nature and specific hydrogen-silicon bonding, offering a different pathway for exploring electrochemical performance.
Related Compounds
Other Silicon Anode Materials in the database.
Data sources & attribution
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
Analyze SiH in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →