O8W2Zn2
O8W2Zn2 has a DFT band gap of 1.20–3.52 eV across 47 reported structures in 5 space groups; its lowest-energy polymorph is monoclinic (P2/c (No. 13)). Cross-validated across 4 computational databases.
At a glance
Key Properties
Cross-validated computational properties for O8W2Zn2, 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.
1.20–3.52 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.
0.002 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)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
47
4 databases, 5 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for O8W2Zn2, 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. |
|---|---|---|---|---|---|
| P2/c (No. 13) | monoclinic | 3.26 | 0.0024 | -7.723 | 7.86 |
| C2/c (No. 15) | monoclinic | 3.52 | 0.0435 | -7.682 | 6.55 |
| I41/a (No. 88) | tetragonal | 2.48 | 0.1847 | -7.541 | 7.57 |
| Cmce (No. 64) | orthorhombic | 2.18 | 0.3568 | -7.369 | 7.97 |
| Cmce (No. 64) | orthorhombic | 1.20 | 0.4231 | -7.303 | 9.04 |
| P2/c (No. 13) | — | — | — | — | — |
| P2/c (No. 13) | — | — | — | — | — |
| P2/c (No. 13) | — | — | — | — | — |
| P2/c (No. 13) | — | — | — | — | — |
| P2/c (No. 13) | — | — | — | — | — |
| P2/c (No. 13) | — | — | — | — | — |
| P2/c (No. 13) | — | — | — | — | — |
Reference
Frequently Asked Questions
Common questions about O8W2Zn2, answered from cross-validated data.
What is the band gap of O8W2Zn2?
O8W2Zn2 has a DFT-computed band gap of 1.20–3.52 eV across 47 reported structures.
More questions
Is O8W2Zn2 a metal, semiconductor, or insulator?
With a wide band gap up to 3.52 eV it is an insulator / wide-band-gap material.
Is O8W2Zn2 thermodynamically stable?
O8W2Zn2 has a lowest energy above hull of 0.002 eV/atom (near hull (likely stable)).
What is the crystal structure of O8W2Zn2?
The lowest-energy reported polymorph of O8W2Zn2 is monoclinic symmetry, space group P2/c (No. 13).
What is the density of O8W2Zn2?
The computed density of the ground-state structure of O8W2Zn2 is 7.86 g/cm³.
How many polymorphs of O8W2Zn2 are known?
47 structures of O8W2Zn2 are reported across 4 databases, spanning 5 distinct space groups.
What elements does O8W2Zn2 contain?
O8W2Zn2 contains O, W, and Zn (3 elements).
Where does the data for O8W2Zn2 come from?
O8W2Zn2 data is cross-referenced from materials_project, aflow.
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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
Analyze O8W2Zn2 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →