Final Magnetic Moment0.005 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-2.283 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.011 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. |
Density2.68 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToV2O5 |
Band Gap2.467 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 MauguinCmcm [63] |
Hall-C 2c 2 |
Point Groupmmm |
Crystal Systemorthorhombic |
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.
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Download spectra for every symmetrically equivalent absorption site in the structure.
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substrate material | substrate orientation | film orientation | elastic energy [meV] | MCIA† [Å2] |
---|---|---|---|---|
SiO2 (mp-6930) | <0 0 1> | <0 0 1> | -0.013 | 195.7 |
BN (mp-984) | <0 0 1> | <0 0 1> | -0.008 | 195.7 |
ZnO (mp-2133) | <0 0 1> | <0 0 1> | -0.006 | 352.2 |
SiC (mp-7631) | <1 0 0> | <0 0 1> | -0.003 | 234.8 |
Cu (mp-30) | <1 0 0> | <0 0 1> | 0.000 | 39.1 |
MgO (mp-1265) | <1 0 0> | <0 0 1> | 0.000 | 234.8 |
YVO4 (mp-19133) | <0 0 1> | <0 0 1> | 0.000 | 156.5 |
Cu (mp-30) | <1 1 0> | <0 1 0> | 0.001 | 166.7 |
GaAs (mp-2534) | <1 0 0> | <1 1 0> | 0.002 | 131.5 |
Ge (mp-32) | <1 0 0> | <1 1 0> | 0.005 | 131.5 |
DyScO3 (mp-31120) | <0 0 1> | <1 0 0> | 0.005 | 124.7 |
TbScO3 (mp-31119) | <0 0 1> | <1 0 0> | 0.005 | 124.7 |
ZnSe (mp-1190) | <1 0 0> | <1 1 0> | 0.006 | 131.5 |
AlN (mp-661) | <1 0 1> | <0 0 1> | 0.006 | 195.7 |
KTaO3 (mp-3614) | <1 0 0> | <0 0 1> | 0.008 | 195.7 |
MgF2 (mp-1249) | <1 0 0> | <0 0 1> | 0.011 | 273.9 |
LaF3 (mp-905) | <0 0 1> | <0 1 1> | 0.012 | 228.7 |
YVO4 (mp-19133) | <1 0 0> | <0 1 1> | 0.012 | 228.7 |
TiO2 (mp-2657) | <1 1 1> | <1 0 1> | 0.013 | 261.4 |
ZrO2 (mp-2858) | <0 1 0> | <0 0 1> | 0.016 | 313.1 |
MgAl2O4 (mp-3536) | <1 0 0> | <1 1 0> | 0.018 | 131.5 |
LiNbO3 (mp-3731) | <0 0 1> | <0 1 1> | 0.019 | 285.8 |
KCl (mp-23193) | <1 1 1> | <0 1 1> | 0.020 | 285.8 |
ZnO (mp-2133) | <1 0 0> | <0 1 1> | 0.021 | 228.7 |
TeO2 (mp-2125) | <0 0 1> | <1 1 0> | 0.024 | 131.5 |
ZrO2 (mp-2858) | <1 0 0> | <0 0 1> | 0.025 | 117.4 |
LaF3 (mp-905) | <1 0 0> | <0 0 1> | 0.025 | 156.5 |
AlN (mp-661) | <1 1 1> | <0 0 1> | 0.029 | 117.4 |
MoSe2 (mp-1634) | <0 0 1> | <0 0 1> | 0.031 | 352.2 |
WSe2 (mp-1821) | <0 0 1> | <0 0 1> | 0.032 | 352.2 |
SiC (mp-11714) | <1 0 1> | <0 1 0> | 0.032 | 291.7 |
SiC (mp-8062) | <1 1 0> | <0 0 1> | 0.035 | 273.9 |
AlN (mp-661) | <0 0 1> | <0 1 1> | 0.035 | 171.5 |
YAlO3 (mp-3792) | <0 1 1> | <0 0 1> | 0.035 | 195.7 |
LiGaO2 (mp-5854) | <0 0 1> | <0 0 1> | 0.037 | 273.9 |
YAlO3 (mp-3792) | <1 0 1> | <0 0 1> | 0.041 | 195.7 |
SiO2 (mp-6930) | <1 0 1> | <0 0 1> | 0.043 | 313.1 |
Bi2Se3 (mp-541837) | <0 0 1> | <0 0 1> | 0.044 | 78.3 |
CdS (mp-672) | <1 1 1> | <0 0 1> | 0.048 | 156.5 |
Al (mp-134) | <1 0 0> | <1 1 0> | 0.049 | 131.5 |
CaCO3 (mp-3953) | <0 0 1> | <0 0 1> | 0.050 | 195.7 |
LiTaO3 (mp-3666) | <0 0 1> | <0 1 1> | 0.052 | 285.8 |
TiO2 (mp-390) | <0 0 1> | <0 0 1> | 0.052 | 117.4 |
CdS (mp-672) | <1 0 1> | <0 0 1> | 0.057 | 352.2 |
NdGaO3 (mp-3196) | <0 1 0> | <0 1 1> | 0.058 | 171.5 |
C (mp-66) | <1 1 1> | <0 0 1> | 0.059 | 195.7 |
CeO2 (mp-20194) | <1 0 0> | <0 0 1> | 0.059 | 117.4 |
Mg (mp-153) | <1 0 0> | <0 0 1> | 0.060 | 273.9 |
WS2 (mp-224) | <1 0 0> | <0 1 1> | 0.060 | 228.7 |
Si (mp-149) | <1 0 0> | <0 0 1> | 0.062 | 117.4 |
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.
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material | dissimilarity | Ehull | # of elements |
---|---|---|---|
RbDy(WO4)2 (mp-566282) | 0.6668 | 0.000 | 4 |
LiV(OF)2 (mp-765790) | 0.6594 | 0.078 | 4 |
LiV(OF)2 (mp-765956) | 0.6482 | 0.005 | 4 |
LiV(OF)2 (mp-766149) | 0.6657 | 0.085 | 4 |
Cr2O5 (mvc-8406) | 0.2272 | 0.108 | 2 |
Mo2O5 (mvc-8590) | 0.2918 | 0.112 | 2 |
W2O5 (mvc-8648) | 0.4212 | 0.244 | 2 |
V2O5 (mvc-11647) | 0.0229 | 0.011 | 2 |
V2O5 (mp-543104) | 0.3932 | 0.009 | 2 |
ZnMo2O5 (mvc-5304) | 0.6422 | 0.566 | 3 |
ZnW2O5 (mvc-4941) | 0.6284 | 0.592 | 3 |
V2MoO8 (mp-561475) | 0.6440 | 0.030 | 3 |
NaV3O8 (mp-851035) | 0.6674 | 0.022 | 3 |
TlV3O8 (mp-18996) | 0.6448 | 0.000 | 3 |
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-7.4309 eV |
Corrected Energy-117.7834 eV
-117.7834 eV = -104.0325 eV (uncorrected energy) - 7.0229 eV (MP Anion Correction) - 6.7280 eV (MP Advanced Correction)
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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)