ZrSiO4
Zircon · Zirconium orthosilicate
Zircon is a highly stable, insulating zirconium silicate mineral known for its durability and structural versatility.
About Zircon
Zircon is a robust, naturally occurring zirconium silicate that stands out for its exceptional thermodynamic stability. As a wide-band-gap insulating material, it is highly resistant to chemical and thermal degradation, making it a cornerstone in geological and material science studies.
Its structural versatility is evidenced by its presence across numerous reported configurations in material databases. This stability and durability allow it to serve as a reliable host for various elements, which is vital for both industrial manufacturing and geochronological research.
Key Properties
Cross-validated computational properties for Zircon, 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.
Reported Structures
Lowest-energy structures reported for ZrSiO4, 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. |
|---|---|---|---|---|---|
| I41/amd (No. 141) | tetragonal | 4.15 | 0.0000 | -9.186 | 4.63 |
| I41/a (No. 88) | tetragonal | 4.00 | 0.0796 | -9.107 | 4.99 |
| P2/c (No. 13) | monoclinic | 3.86 | 0.1819 | -9.004 | 5.10 |
| P2/c (No. 13) | Monoclinic | — | — | — | 5.10 |
| P2/c (No. 13) | Monoclinic | — | — | — | 5.51 |
| P2/c (No. 13) | Monoclinic | — | — | — | 5.26 |
| I41/a (No. 88) | Tetragonal | — | — | — | 4.99 |
| I41/a (No. 88) | Tetragonal | — | — | — | 5.38 |
| I41/a (No. 88) | Tetragonal | — | — | — | 5.13 |
| I41/amd (No. 141) | Tetragonal | — | — | — | 4.48 |
| I41/amd (No. 141) | Tetragonal | — | — | — | 4.84 |
| I41/amd (No. 141) | Tetragonal | — | — | — | 4.61 |
Synthesis Routes
Literature-extracted synthesis procedures targeting ZrSiO4.
Applications
Where Zircon is used.
Frequently Asked Questions
Common questions about Zircon, answered from cross-validated data.
What is ZrSiO4?
Zircon is a highly stable, insulating zirconium silicate mineral known for its durability and structural versatility.
What is ZrSiO4 used for?
What is the band gap of ZrSiO4?
Is ZrSiO4 a metal, semiconductor, or insulator?
Is ZrSiO4 thermodynamically stable?
What is the crystal structure of ZrSiO4?
What is the density of ZrSiO4?
How many polymorphs of ZrSiO4 are known?
How is ZrSiO4 synthesized?
What elements does ZrSiO4 contain?
Where does the data for ZrSiO4 come from?
How It Compares
As a primary zirconium-based silicate, this compound represents a benchmark for stability and structural integrity within its material class, serving as a fundamental reference point for researchers studying high-performance refractory and insulating oxides.
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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