V4O7
V4O7 has a DFT band gap of 0.31–1.31 eV across 16 reported structures in 2 space groups; its lowest-energy polymorph is triclinic (P-1 (No. 2)). Cross-validated across 4 computational databases.
At a glance
Key Properties
Cross-validated computational properties for V4O7, 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.
0.31–1.31 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.
0.037 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.
Metastable
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
16
4 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for V4O7, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 0.59 | 0.0371 | -8.943 | 4.73 |
| P-1 (No. 2) | triclinic | 0.95 | 0.1773 | -8.803 | 3.48 |
| P-1 (No. 2) | triclinic | 1.04 | 0.1895 | -8.790 | 3.88 |
| P-1 (No. 2) | triclinic | 1.02 | 0.2130 | -8.767 | 4.02 |
| P-1 (No. 2) | triclinic | 0.36 | 0.2153 | -8.765 | 3.93 |
| P-1 (No. 2) | triclinic | 0.31 | 0.2201 | -8.760 | 4.64 |
| P-1 (No. 2) | triclinic | 0.00 | 0.4156 | -8.564 | 2.12 |
| P-1 (No. 2) | triclinic | 1.31 | 0.5156 | -8.464 | 4.06 |
| P-1 (No. 2) | — | — | — | — | — |
| P-1 (No. 2) | triclinic | — | — | — | 1.19 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.46 |
| No. 0 | unknown | — | — | — | 2.43 |
Reference
Frequently Asked Questions
Common questions about V4O7, answered from cross-validated data.
What is the band gap of V4O7?
V4O7 has a DFT-computed band gap of 0.31–1.31 eV across 16 reported structures.
More questions
Is V4O7 a metal, semiconductor, or insulator?
With a band gap up to 1.31 eV it is a semiconductor.
Is V4O7 thermodynamically stable?
V4O7 has a lowest energy above hull of 0.037 eV/atom (metastable).
What is the crystal structure of V4O7?
The lowest-energy reported polymorph of V4O7 is triclinic symmetry, space group P-1 (No. 2).
What is the density of V4O7?
The computed density of the ground-state structure of V4O7 is 4.73 g/cm³.
How many polymorphs of V4O7 are known?
16 structures of V4O7 are reported across 4 databases, spanning 2 distinct space groups.
What elements does V4O7 contain?
V4O7 contains O and V (2 elements).
Where does the data for V4O7 come from?
V4O7 data is cross-referenced from materials_project, jarvis, cod, mpaloe.
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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).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- mpaloe — Data from mpaloe.
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