Zn2SiO4
Willemite · zinc orthosilicate
Zn2SiO4 is a thermodynamically stable, semiconducting zinc silicate mineral often utilized in phosphors and advanced oxide-based material research.
About Willemite
Zn2SiO4, commonly known as the mineral willemite, is a thermodynamically stable silicate that occupies a distinct position within the family of transparent conducting oxides. Its electronic character as a semiconductor makes it a subject of significant interest for researchers investigating oxide-based electronic materials.
With a high degree of structural diversity represented by numerous reported crystal arrangements, this compound serves as a foundational material for understanding complex metal-oxide interactions. Its stability on the convex hull underscores its robustness, making it a reliable candidate for advanced material design and functional coating applications.
Key Properties
Cross-validated computational properties for Willemite, 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.
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.
Reported Structures
Lowest-energy structures reported for Zn2SiO4, 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. |
|---|---|---|---|---|---|
| R-3 (No. 148) | trigonal | 2.75 | 0.0000 | -6.410 | 4.24 |
| Pnma (No. 62) | orthorhombic | 2.68 | 0.0153 | -6.394 | 4.26 |
| I-42d (No. 122) | tetragonal | 2.69 | 0.0258 | -6.384 | 4.49 |
| Pbca (No. 61) | orthorhombic | 2.81 | 0.0516 | -6.358 | 4.40 |
| Pnma (No. 62) | orthorhombic | 2.85 | 0.0834 | -6.326 | 4.79 |
| P21/c (No. 14) | monoclinic | 2.47 | 0.1106 | -6.299 | 4.26 |
| Imma (No. 74) | orthorhombic | 2.36 | 0.1221 | -6.287 | 5.13 |
| Fd-3m (No. 227) | cubic | 2.36 | 0.1445 | -6.265 | 5.26 |
| Pbca (No. 61) | orthorhombic | 2.66 | 0.2117 | -6.198 | 5.56 |
| P21/c (No. 14) | Monoclinic | — | — | — | 4.40 |
| I-42d (No. 122) | — | — | — | — | — |
| P21/c (No. 14) | Monoclinic | — | — | — | 4.26 |
Synthesis Routes
Literature-extracted synthesis procedures targeting Zn2SiO4.
Applications
Where Willemite is used.
Frequently Asked Questions
Common questions about Willemite, answered from cross-validated data.
What is Zn2SiO4?
Zn2SiO4 is a thermodynamically stable, semiconducting zinc silicate mineral often utilized in phosphors and advanced oxide-based material research.
What is Zn2SiO4 used for?
What is the band gap of Zn2SiO4?
Is Zn2SiO4 a metal, semiconductor, or insulator?
Is Zn2SiO4 thermodynamically stable?
What is the crystal structure of Zn2SiO4?
What is the density of Zn2SiO4?
How many polymorphs of Zn2SiO4 are known?
How is Zn2SiO4 synthesized?
What elements does Zn2SiO4 contain?
Where does the data for Zn2SiO4 come from?
How It Compares
Within the transparent conducting oxides class.
Unlike the highly conductive binary oxide ZnO or the perovskite-structured BaSnO3, Zn2SiO4 features a more complex silicate framework that influences its electronic transport properties. While it shares the zinc-based chemistry found in spinels like ZnGa2O4 or ZnFe2O4, its unique orthosilicate structure differentiates it from these more common conductive oxides, positioning it as a specialized material for unique optoelectronic requirements.
Related Compounds
Other Transparent Conducting Oxides 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).
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