O8V4
O8V4 has a DFT band gap of 0.07–1.49 eV across 85 reported structures in 33 space groups; its lowest-energy polymorph is monoclinic (C2/m (No. 12)). Cross-validated across 4 computational databases.
At a glance
Key Properties
Cross-validated computational properties for O8V4, 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.
0.07–1.49 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.
0.000 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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
85
4 databases, 33 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for O8V4, 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. |
|---|---|---|---|---|---|
| C2/m (No. 12) | monoclinic | 0.76 | 0.0000 | -8.849 | 4.07 |
| Pbca (No. 61) | orthorhombic | 0.89 | 0.0119 | -8.837 | 4.48 |
| I4/mmm (No. 139) | tetragonal | 0.00 | 0.0168 | -8.832 | 4.11 |
| Pnma (No. 62) | orthorhombic | 1.38 | 0.0259 | -8.781 | 2.83 |
| Pnma (No. 62) | orthorhombic | 0.00 | 0.0397 | -8.809 | 2.92 |
| P42/mnm (No. 136) | tetragonal | 0.00 | 0.0422 | -8.807 | 4.45 |
| P21/c (No. 14) | monoclinic | 0.00 | 0.0430 | -8.806 | 4.47 |
| Pnnm (No. 58) | orthorhombic | 0.00 | 0.0438 | -8.805 | 4.47 |
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.0478 | -8.801 | 3.89 |
| P-1 (No. 2) | triclinic | 0.55 | 0.0636 | -8.785 | 4.11 |
| I4/m (No. 87) | tetragonal | 0.76 | 0.0670 | -8.782 | 3.84 |
| C2/m (No. 12) | monoclinic | 0.65 | 0.0671 | -8.782 | 4.41 |
Reference
Frequently Asked Questions
Common questions about O8V4, answered from cross-validated data.
What is the band gap of O8V4?
O8V4 has a DFT-computed band gap of 0.07–1.49 eV across 85 reported structures.
More questions
Is O8V4 a metal, semiconductor, or insulator?
With a band gap up to 1.49 eV it is a semiconductor.
Is O8V4 thermodynamically stable?
Yes — O8V4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of O8V4?
The lowest-energy reported polymorph of O8V4 is monoclinic symmetry, space group C2/m (No. 12).
What is the density of O8V4?
The computed density of the ground-state structure of O8V4 is 4.07 g/cm³.
How many polymorphs of O8V4 are known?
85 structures of O8V4 are reported across 4 databases, spanning 33 distinct space groups.
What elements does O8V4 contain?
O8V4 contains O and V (2 elements).
Where does the data for O8V4 come from?
O8V4 data is cross-referenced from materials_project.
Explore
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).
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