Sb2O3
Antimony trioxide · Antimony(III) oxide, Valentinite, Senarmontite
Antimony trioxide is a white inorganic solid that serves as the most important commercial compound of antimony. It is primarily utilized as a flame retardant synergist in plastics, textiles, and rubber products, and it also functions as a catalyst in the production of polyethylene terephthalate.
Key Properties
Cross-validated computational properties for Antimony trioxide, 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 Sb2O3, 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. |
|---|---|---|---|---|---|
| Pccn (No. 56) | orthorhombic | 2.22 | 0.0000 | -6.372 | 5.83 |
| Fd-3m (No. 227) | cubic | 3.34 | 0.0047 | -6.367 | 5.48 |
| P21/c (No. 14) | monoclinic | 2.51 | 0.0184 | -6.354 | 5.47 |
| P212121 (No. 19) | orthorhombic | 2.34 | 0.0325 | -6.340 | 5.42 |
| Pmmn (No. 59) | orthorhombic | 1.48 | 0.1701 | -6.202 | 5.40 |
| Cmcm (No. 63) | orthorhombic | 1.31 | 0.2602 | -6.112 | 5.32 |
| P-1 (No. 2) | Triclinic | — | — | — | 9.67 |
| Pmmn (No. 59) | Orthorhombic | — | — | — | 5.80 |
| P-1 (No. 2) | Triclinic | — | — | — | 6.93 |
| P1 (No. 1) | Triclinic | — | — | — | 7.15 |
| C2/m (No. 12) | Monoclinic | — | — | — | 6.09 |
| C2/m (No. 12) | Monoclinic | — | — | — | 7.29 |
Synthesis Routes
Literature-extracted synthesis procedures targeting Sb2O3.
Applications
Where Antimony trioxide is used.
Frequently Asked Questions
Common questions about Antimony trioxide, answered from cross-validated data.
What is Sb2O3?
Antimony trioxide is a white inorganic solid that serves as the most important commercial compound of antimony. It is primarily utilized as a flame retardant synergist in plastics, textiles, and rubber products, and it also functions as a catalyst in the production of polyethylene terephthalate.
What is Sb2O3 used for?
What is the band gap of Sb2O3?
Is Sb2O3 a metal, semiconductor, or insulator?
Is Sb2O3 thermodynamically stable?
What is the crystal structure of Sb2O3?
What is the density of Sb2O3?
How many polymorphs of Sb2O3 are known?
How is Sb2O3 synthesized?
What elements does Sb2O3 contain?
Where does the data for Sb2O3 come from?
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
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