ZnSiO3
Zinc silicate · Zinc metasilicate
ZnSiO3 is a metastable wide-band-gap silicate material utilized in the study of transparent oxides and electronic thin films.
About Zinc silicate
ZnSiO3 is a metastable inorganic compound belonging to the silicate family, often studied within the context of transparent conducting oxides. Its wide-band-gap insulating nature makes it a subject of significant interest for researchers investigating dielectric properties and optical transparency in complex oxide systems.
Due to its structural versatility, this compound is frequently evaluated for potential applications in advanced electronics and optoelectronic devices. Its stability profile and electronic characteristics allow it to serve as a foundational material for exploring thin-film deposition and semiconductor interface engineering.
Key Properties
Cross-validated computational properties for Zinc silicate, 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 ZnSiO3. 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 ZnSiO3, 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. |
|---|---|---|---|---|---|
| C2/c (No. 15) | monoclinic | 3.67 | 0.0181 | -2.372 | — |
| C2/c (No. 15) | monoclinic | 3.67 | 0.0182 | -2.372 | — |
| Ibam (No. 72) | orthorhombic | 3.65 | 0.0244 | -2.365 | — |
| Ibam (No. 72) | orthorhombic | 3.57 | 0.0384 | -6.962 | 3.46 |
| C2/c (No. 15) | monoclinic | 3.44 | 0.0502 | -6.950 | 4.00 |
| — | — | 3.69 | 0.0505 | -2.472 | — |
| Pbca (No. 61) | orthorhombic | 3.39 | 0.0553 | -6.945 | 4.09 |
| — | — | 3.69 | 0.0555 | -2.467 | — |
| P21/c (No. 14) | monoclinic | 3.34 | 0.0588 | -6.942 | 4.11 |
| — | — | 3.57 | 0.0643 | -2.458 | — |
| — | — | 3.33 | 0.0915 | -2.431 | — |
| R-3 (No. 148) | trigonal | 4.02 | 0.0958 | -2.294 | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting ZnSiO3.
Applications
Where Zinc silicate is used.
Frequently Asked Questions
Common questions about Zinc silicate, answered from cross-validated data.
What is ZnSiO3?
ZnSiO3 is a metastable wide-band-gap silicate material utilized in the study of transparent oxides and electronic thin films.
What is ZnSiO3 used for?
What is the band gap of ZnSiO3?
Is ZnSiO3 a metal, semiconductor, or insulator?
Is ZnSiO3 thermodynamically stable?
What is the crystal structure of ZnSiO3?
How many polymorphs of ZnSiO3 are known?
How is ZnSiO3 synthesized?
What elements does ZnSiO3 contain?
Where does the data for ZnSiO3 come from?
How It Compares
Within the transparent conducting oxides class.
Within the class of transparent conducting oxides and related zinc-based ceramics, ZnSiO3 occupies a distinct position compared to more conductive counterparts like ZnO or BaSnO3. While materials such as Zn2SiO4 are often prioritized for their luminescent properties, ZnSiO3 provides a unique structural alternative for researchers seeking to tune electronic behavior in silicate-based oxide frameworks.
Related Compounds
Other Transparent Conducting Oxides in the database.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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