O2SbZn
Zinc antimonate · Zinc meta-antimonate
Zinc antimonate is an inorganic compound that functions as a functional ceramic material. It is primarily utilized for its semiconducting properties and its effectiveness as a flame retardant additive in various polymer systems.
Overview
Key Properties
Cross-validated computational properties for Zinc antimonate, 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.
0.04–2.73 eV
Range across DFT structures
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.
0.013 eV/atom
Best (lowest) across sources
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.
Near hull (likely stable)
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
18
3 databases, 12 space groups
Validation
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of O2SbZn. 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.
1.00 / 1.00
Trust tier: medium
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
0.000 eV
EAH spread across sources
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
2
materials_project, nomad
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
All match
Crystallography
Reported Structures
Lowest-energy structures reported for O2SbZn, 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. |
|---|---|---|---|---|---|
| P42/mbc (No. 135) | tetragonal | 2.73 | 0.0131 | -5.937 | 5.88 |
| P1 (No. 1) | triclinic | 2.05 | 0.1187 | -5.831 | 5.34 |
| P1 (No. 1) | triclinic | 1.86 | 0.1238 | -6.089 | 5.07 |
| C2 (No. 5) | monoclinic | 2.10 | 0.1275 | -5.822 | 5.58 |
| P1 (No. 1) | triclinic | 1.72 | 0.1422 | -5.808 | 5.45 |
| P1 (No. 1) | triclinic | 1.71 | 0.1878 | -5.762 | 5.46 |
| Cm (No. 8) | monoclinic | 1.18 | 0.1954 | -5.755 | 5.69 |
| Pbcm (No. 57) | orthorhombic | 1.63 | 0.2237 | -5.726 | 6.22 |
| Imma (No. 74) | orthorhombic | 0.96 | 0.2869 | -5.663 | 6.14 |
| Pnma (No. 62) | orthorhombic | 0.60 | 0.3010 | -5.649 | 5.93 |
| R3m (No. 160) | trigonal | 0.18 | 0.3196 | -5.630 | 6.14 |
| Cm (No. 8) | monoclinic | 0.00 | 0.3529 | -5.860 | 5.47 |
Uses
Applications
Where Zinc antimonate is used.
Flame retardant additiveGas sensing materialsCeramic pigmentsCatalysis
Reference
Frequently Asked Questions
Common questions about Zinc antimonate, answered from cross-validated data.
What is O2SbZn?
Zinc antimonate is an inorganic compound that functions as a functional ceramic material. It is primarily utilized for its semiconducting properties and its effectiveness as a flame retardant additive in various polymer systems.
More questions
What is O2SbZn used for?
Zinc antimonate (O2SbZn) is used in flame retardant additive, gas sensing materials, ceramic pigments, and catalysis.
What is the band gap of O2SbZn?
Zinc antimonate (O2SbZn) has a DFT-computed band gap of 0.04–2.73 eV across 18 reported structures.
Is O2SbZn a metal, semiconductor, or insulator?
With a band gap up to 2.73 eV it is a semiconductor.
Is O2SbZn thermodynamically stable?
Zinc antimonate (O2SbZn) has a lowest energy above hull of 0.013 eV/atom (near hull (likely stable)).
What is the crystal structure of O2SbZn?
The lowest-energy reported polymorph of Zinc antimonate (O2SbZn) is tetragonal symmetry, space group P42/mbc (No. 135).
What is the density of O2SbZn?
The computed density of the ground-state structure of Zinc antimonate (O2SbZn) is 5.88 g/cm³.
How many polymorphs of O2SbZn are known?
18 structures of O2SbZn are reported across 3 databases, spanning 12 distinct space groups.
What elements does O2SbZn contain?
Zinc antimonate (O2SbZn) contains O, Sb, and Zn (3 elements).
Where does the data for O2SbZn come from?
O2SbZn data is cross-referenced from materials_project, nomad, cod.
Explore
Related Compounds
Other Spinel Oxide Catalysts in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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