Final Magnetic Moment0.000 μBCalculated total magnetic moment for the unit cell within the magnetic ordering provided (see below). Typically accurate to the second digit. |
Magnetic OrderingNM |
Formation Energy / Atom-2.261 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.034 eVThe energy of decomposition of this material into the set of most stable materials at this chemical composition, in eV/atom. Stability is tested against all potential chemical combinations that result in the material's composition. For example, a Co2O3 structure would be tested for decomposition against other Co2O3 structures, against Co and O2 mixtures, and against CoO and O2 mixtures. |
Density2.71 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToV2O5 |
Band Gap2.080 eVIn general, band gaps computed with common exchange-correlation functionals such as the LDA and GGA are severely underestimated. Typically the disagreement is reported to be ~50% in the literature. Some internal testing by the Materials Project supports these statements; typically, we find that band gaps are underestimated by ~40%. We additionally find that several known insulators are predicted to be metallic. |
Hermann MauguinP21/c [14] |
Hall-P 2ybc |
Point Group2/m |
Crystal Systemmonoclinic |
Calculated powder diffraction pattern; note that peak spacings may be affected due to inaccuracies in calculated cell volume, which is typically overestimated on average by 3% (+/- 6%)
Select an element to display a spectrum averaged over all sites of that element in the structure.
Apply Gaussian smoothing:
Download spectra for every symmetrically equivalent absorption site in the structure.
Download FEFF Input parameters.
substrate material | substrate orientation | film orientation | MCIA† [Å2] |
---|---|---|---|
LaAlO3 (mp-2920) | <1 0 0> | <0 0 1> | 143.9 |
AlN (mp-661) | <1 0 0> | <1 0 1> | 173.2 |
AlN (mp-661) | <1 1 0> | <1 0 0> | 54.8 |
AlN (mp-661) | <0 0 1> | <1 0 -1> | 167.5 |
AlN (mp-661) | <1 0 1> | <1 0 -1> | 279.2 |
AlN (mp-661) | <1 1 1> | <1 0 0> | 54.8 |
CeO2 (mp-20194) | <1 0 0> | <0 0 1> | 143.9 |
CeO2 (mp-20194) | <1 1 0> | <1 0 0> | 164.5 |
GaAs (mp-2534) | <1 0 0> | <1 0 1> | 259.8 |
BaF2 (mp-1029) | <1 0 0> | <0 0 1> | 239.9 |
BaF2 (mp-1029) | <1 1 0> | <0 0 1> | 287.9 |
GaN (mp-804) | <1 0 0> | <1 0 0> | 164.5 |
GaN (mp-804) | <1 1 0> | <0 0 1> | 239.9 |
GaN (mp-804) | <1 1 1> | <1 0 0> | 329.0 |
SiO2 (mp-6930) | <0 0 1> | <0 1 1> | 288.3 |
SiO2 (mp-6930) | <1 0 0> | <1 0 0> | 54.8 |
SiO2 (mp-6930) | <1 0 1> | <0 0 1> | 335.8 |
SiO2 (mp-6930) | <1 1 0> | <0 0 1> | 48.0 |
KCl (mp-23193) | <1 0 0> | <0 0 1> | 239.9 |
DyScO3 (mp-31120) | <0 1 0> | <1 0 1> | 86.6 |
DyScO3 (mp-31120) | <0 1 1> | <1 0 1> | 259.8 |
DyScO3 (mp-31120) | <1 1 0> | <1 0 1> | 259.8 |
DyScO3 (mp-31120) | <1 1 1> | <1 0 0> | 274.1 |
KCl (mp-23193) | <1 1 0> | <0 0 1> | 287.9 |
KCl (mp-23193) | <1 1 1> | <0 0 1> | 143.9 |
DyScO3 (mp-31120) | <0 0 1> | <1 0 0> | 219.3 |
InAs (mp-20305) | <1 0 0> | <0 0 1> | 239.9 |
InAs (mp-20305) | <1 1 0> | <0 0 1> | 335.8 |
ZnSe (mp-1190) | <1 0 0> | <1 0 1> | 259.8 |
KTaO3 (mp-3614) | <1 0 0> | <1 0 1> | 259.8 |
LiF (mp-1138) | <1 0 0> | <0 0 1> | 335.8 |
Te2W (mp-22693) | <0 0 1> | <1 0 0> | 274.1 |
YVO4 (mp-19133) | <0 0 1> | <1 0 1> | 259.8 |
YVO4 (mp-19133) | <1 1 0> | <1 0 0> | 329.0 |
YVO4 (mp-19133) | <1 1 1> | <1 0 0> | 164.5 |
LiF (mp-1138) | <1 1 0> | <1 0 0> | 219.3 |
Te2Mo (mp-602) | <1 0 1> | <1 0 1> | 173.2 |
Ag (mp-124) | <1 1 0> | <1 0 0> | 219.3 |
Bi2Te3 (mp-34202) | <0 0 1> | <0 1 1> | 288.3 |
BN (mp-984) | <0 0 1> | <1 0 -1> | 279.2 |
BN (mp-984) | <1 1 0> | <0 0 1> | 335.8 |
GaSe (mp-1943) | <1 0 0> | <1 1 -1> | 200.5 |
BN (mp-984) | <1 0 0> | <1 0 -1> | 335.1 |
BN (mp-984) | <1 0 1> | <1 1 1> | 120.1 |
BN (mp-984) | <1 1 1> | <0 0 1> | 143.9 |
LiNbO3 (mp-3731) | <1 0 0> | <1 0 -1> | 223.4 |
Bi2Se3 (mp-541837) | <0 0 1> | <1 0 -1> | 223.4 |
LiNbO3 (mp-3731) | <0 0 1> | <0 0 1> | 48.0 |
Al (mp-134) | <1 0 0> | <1 0 1> | 259.8 |
LiGaO2 (mp-5854) | <0 0 1> | <1 0 0> | 54.8 |
A full elastic tensor has not been calculated for this material. Registered users can view statistical-learning-based predictions of this material's bulk and shear moduli.
Once you have registered you can also "vote" for full calculation of this material's elastic properties.
material | dissimilarity | Ehull | # of elements |
---|---|---|---|
Rb2Si2O5 (mp-28971) | 0.6605 | 0.000 | 3 |
Rb2Ge2O5 (mp-772864) | 0.6374 | 0.022 | 3 |
Cs2Si2O5 (mp-562345) | 0.6645 | 0.000 | 3 |
TiOF2 (mp-753858) | 0.6202 | 0.053 | 3 |
Si6Cl10O7 (mp-542214) | 0.6565 | 0.017 | 3 |
ReH4NO4 (mp-24128) | 0.6795 | 0.000 | 4 |
FeN3ClO3 (mp-566054) | 0.6452 | 0.646 | 4 |
Ag4S(NO)2 (mp-560947) | 0.6038 | 0.318 | 4 |
NaCo(CO)4 (mp-609284) | 0.6804 | 0.375 | 4 |
Cs2VHO4 (mp-1096946) | 0.6419 | 0.000 | 4 |
V2O5 (mp-775847) | 0.5954 | 0.011 | 2 |
CrO3 (mp-779986) | 0.6038 | 0.096 | 2 |
CrO3 (mp-779941) | 0.7412 | 0.075 | 2 |
V2O5 (mp-776344) | 0.7290 | 0.012 | 2 |
CrO3 (mp-715566) | 0.7286 | 0.054 | 2 |
ZnAg2C4(SN)4 (mp-648573) | 0.7291 | 0.125 | 5 |
LiCS(OF)3 (mp-636952) | 0.7275 | 0.164 | 5 |
Cu2H10C6S3N4 (mp-600236) | 0.6936 | 0.190 | 5 |
FeBN3O3F4 (mp-631397) | 0.6502 | 0.417 | 5 |
Cu2H10C6S3N4 (mp-555729) | 0.7183 | 0.178 | 5 |
Explore more synthesis descriptions for materials of composition V2O5.
Text computed by synthesisproject.org.
Run TypeGGA+U |
Energy Cutoff520 eV |
# of K-pointsNone |
U ValuesV: 3.25 eV |
PseudopotentialsVASP PAW: V_pv O |
Final Energy/Atom-7.4081 eV |
Corrected Energy-234.9280 eV
-234.9280 eV = -207.4262 eV (uncorrected energy) - 14.0458 eV (MP Anion Correction) - 13.4560 eV (MP Advanced Correction)
|
Displaying lattice parameters for primitive cell; note that calculated cell volumes are typically overestimated on average by 3% (+/- 6%). Note the primitive cell may appear less symmetric than the conventional cell representation (see "Structure Type" selector below the 3d structure)