O8W3
O8W3 has a DFT band gap of 1.56–2.73 eV across 9 reported structures in 8 space groups; its lowest-energy polymorph is monoclinic (Cm (No. 8)). Cross-validated across 3 computational databases.
At a glance
Key Properties
Cross-validated computational properties for O8W3, 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.
1.56–2.73 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.
0.009 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.
9
3 databases, 8 space groups
Validation
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of O8W3. 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
aflow, materials_project
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 O8W3, 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. |
|---|---|---|---|---|---|
| Cm (No. 8) | monoclinic | 0.00 | 0.0093 | -9.272 | 8.38 |
| Cmmm (No. 65) | orthorhombic | 0.00 | 0.0243 | -9.257 | 8.90 |
| Pbam (No. 55) | orthorhombic | 0.00 | 0.0720 | -9.209 | 7.67 |
| P2/c (No. 13) | monoclinic | 1.83 | 0.0906 | -9.191 | 7.89 |
| P-1 (No. 2) | triclinic | 2.73 | 0.1481 | -9.133 | 6.36 |
| C2/m (No. 12) | monoclinic | 1.62 | 0.3123 | -8.969 | 6.71 |
| P63mc (No. 186) | hexagonal | 1.56 | 0.3726 | -8.909 | 6.72 |
| No. 0 | unknown | — | — | — | 2.06 |
| Cmmm (No. 65) | — | — | — | — | — |
Reference
Frequently Asked Questions
Common questions about O8W3, answered from cross-validated data.
What is the band gap of O8W3?
O8W3 has a DFT-computed band gap of 1.56–2.73 eV across 9 reported structures.
More questions
Is O8W3 a metal, semiconductor, or insulator?
With a band gap up to 2.73 eV it is a semiconductor.
Is O8W3 thermodynamically stable?
O8W3 has a lowest energy above hull of 0.009 eV/atom (near hull (likely stable)).
What is the crystal structure of O8W3?
The lowest-energy reported polymorph of O8W3 is monoclinic symmetry, space group Cm (No. 8).
What is the density of O8W3?
The computed density of the ground-state structure of O8W3 is 8.38 g/cm³.
How many polymorphs of O8W3 are known?
9 structures of O8W3 are reported across 3 databases, spanning 8 distinct space groups.
What elements does O8W3 contain?
O8W3 contains O and W (2 elements).
Where does the data for O8W3 come from?
O8W3 data is cross-referenced from materials_project, cod, aflow.
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Related Compounds
Other Electrochromic and Refractory-Metal Oxides in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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