Ba2SiO4
barium orthosilicate · barium silicate
Barium orthosilicate is a stable, insulating ceramic material widely utilized in the development of phosphors and specialized coatings.
About barium orthosilicate
Barium orthosilicate is a thermodynamically stable inorganic compound characterized by its wide-gap insulating electronic structure. Its composition of barium, silicon, and oxygen allows it to maintain structural integrity under various processing conditions, making it a reliable candidate for high-temperature material science applications.
Due to its stable nature, this silicate is frequently explored for its role in phosphors and advanced ceramic coatings. Its ability to host dopants effectively enables its use in light-emitting technologies where chemical and thermal resilience are essential requirements.
Key Properties
Cross-validated computational properties for barium orthosilicate, 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 Ba2SiO4, 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 | 4.63 | 0.0000 | -7.513 | 5.38 |
| Pnma (No. 62) | — | — | — | — | — |
| Pnma (No. 62) | Orthorhombic | — | — | — | 5.37 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 5.23 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 5.56 |
Synthesis Routes
Literature-extracted synthesis procedures targeting Ba2SiO4.
Applications
Where barium orthosilicate is used.
Frequently Asked Questions
Common questions about barium orthosilicate, answered from cross-validated data.
What is Ba2SiO4?
Barium orthosilicate is a stable, insulating ceramic material widely utilized in the development of phosphors and specialized coatings.
What is Ba2SiO4 used for?
What is the band gap of Ba2SiO4?
Is Ba2SiO4 a metal, semiconductor, or insulator?
Is Ba2SiO4 thermodynamically stable?
What is the crystal structure of Ba2SiO4?
What is the density of Ba2SiO4?
How many polymorphs of Ba2SiO4 are known?
How is Ba2SiO4 synthesized?
What elements does Ba2SiO4 contain?
Where does the data for Ba2SiO4 come from?
How It Compares
As a member of the alkaline earth silicate family, this compound is distinguished by its high thermodynamic stability, which positions it as a foundational material for developing more complex silicate-based systems. It serves as a primary reference point for understanding the structural behavior of orthosilicates in industrial applications.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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