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-2.235 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.061 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. |
Density4.05 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToV2O5 |
Band Gap1.418 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 MauguinC2/c [15] |
Hall-C 2yc |
Point Group2/m |
Crystal Systemmonoclinic |
Topological Classificationtrivial*
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SubclassificationLCEBR†
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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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substrate material | substrate orientation | film orientation | MCIA† [Å2] |
---|---|---|---|
LaAlO3 (mp-2920) | <0 0 1> | <1 0 -1> | 227.1 |
LaAlO3 (mp-2920) | <1 0 0> | <1 0 0> | 280.9 |
AlN (mp-661) | <0 0 1> | <1 0 -1> | 227.1 |
AlN (mp-661) | <1 0 0> | <1 0 0> | 229.8 |
AlN (mp-661) | <1 1 1> | <1 0 0> | 204.3 |
GaAs (mp-2534) | <1 0 0> | <1 0 0> | 332.0 |
BaF2 (mp-1029) | <1 0 0> | <1 0 1> | 203.2 |
GaN (mp-804) | <0 0 1> | <1 0 0> | 332.0 |
AlN (mp-661) | <1 0 1> | <1 0 1> | 270.9 |
AlN (mp-661) | <1 1 0> | <1 1 0> | 136.5 |
CeO2 (mp-20194) | <1 0 0> | <1 0 0> | 178.7 |
CeO2 (mp-20194) | <1 1 0> | <0 1 0> | 126.6 |
GaAs (mp-2534) | <1 1 0> | <1 0 0> | 229.8 |
GaAs (mp-2534) | <1 1 1> | <1 0 0> | 229.8 |
GaN (mp-804) | <1 0 0> | <1 0 0> | 51.1 |
GaN (mp-804) | <1 1 0> | <1 0 0> | 153.2 |
GaN (mp-804) | <1 1 1> | <1 0 0> | 153.2 |
SiO2 (mp-6930) | <1 0 0> | <1 1 0> | 136.5 |
SiO2 (mp-6930) | <1 0 1> | <0 1 0> | 253.3 |
SiO2 (mp-6930) | <1 1 0> | <1 0 0> | 229.8 |
KCl (mp-23193) | <1 0 0> | <1 0 1> | 203.2 |
DyScO3 (mp-31120) | <0 0 1> | <1 0 0> | 127.7 |
DyScO3 (mp-31120) | <0 1 0> | <0 1 0> | 126.6 |
DyScO3 (mp-31120) | <0 1 1> | <1 1 0> | 273.1 |
DyScO3 (mp-31120) | <1 0 0> | <0 1 0> | 190.0 |
DyScO3 (mp-31120) | <1 0 1> | <1 0 1> | 270.9 |
ZnSe (mp-1190) | <1 0 0> | <1 0 0> | 332.0 |
ZnSe (mp-1190) | <1 1 0> | <1 0 0> | 229.8 |
ZnSe (mp-1190) | <1 1 1> | <1 0 0> | 229.8 |
KTaO3 (mp-3614) | <1 0 0> | <0 0 1> | 285.2 |
KTaO3 (mp-3614) | <1 1 0> | <1 0 0> | 204.3 |
KTaO3 (mp-3614) | <1 1 1> | <1 0 0> | 332.0 |
CdS (mp-672) | <0 0 1> | <1 0 0> | 178.7 |
CdS (mp-672) | <1 0 0> | <1 0 0> | 229.8 |
CdS (mp-672) | <1 0 1> | <1 0 -1> | 283.9 |
CdS (mp-672) | <1 1 1> | <1 0 1> | 203.2 |
LiF (mp-1138) | <1 0 0> | <1 0 0> | 306.4 |
LiF (mp-1138) | <1 1 0> | <1 0 0> | 229.8 |
LiF (mp-1138) | <1 1 1> | <1 0 0> | 332.0 |
Te2W (mp-22693) | <0 0 1> | <1 0 0> | 153.2 |
Te2W (mp-22693) | <0 1 1> | <1 0 0> | 229.8 |
YVO4 (mp-19133) | <0 0 1> | <1 0 1> | 203.2 |
YVO4 (mp-19133) | <1 0 0> | <1 0 0> | 178.7 |
YVO4 (mp-19133) | <1 0 1> | <1 0 0> | 204.3 |
TePb (mp-19717) | <1 0 0> | <1 0 1> | 135.5 |
TePb (mp-19717) | <1 1 0> | <1 0 0> | 306.4 |
TePb (mp-19717) | <1 1 1> | <1 0 -1> | 227.1 |
Te2Mo (mp-602) | <0 0 1> | <1 0 0> | 102.1 |
Ag (mp-124) | <1 0 0> | <1 0 -1> | 283.9 |
Ag (mp-124) | <1 1 0> | <1 0 0> | 332.0 |
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 |
---|---|---|---|
Nb4VO12 (mp-767656) | 0.5925 | 0.051 | 3 |
Nb2O3F2 (mp-753532) | 0.5637 | 0.024 | 3 |
V2OF4 (mp-764356) | 0.4507 | 0.188 | 3 |
NbAsO4 (mp-770219) | 0.5501 | 0.038 | 3 |
NbSbO4 (mp-3491) | 0.6003 | 0.000 | 3 |
LiNb(OF)2 (mp-769319) | 0.7175 | 0.000 | 4 |
LiV4O5F7 (mp-777081) | 0.6708 | 0.084 | 4 |
NaNb(OF)2 (mp-555305) | 0.5836 | 0.000 | 4 |
AlAg(WO4)2 (mvc-591) | 0.6190 | 0.186 | 4 |
LiV4O5F7 (mp-782707) | 0.7083 | 0.094 | 4 |
CrO3 (mvc-13134) | 0.6392 | 0.200 | 2 |
Nb2O5 (mp-604) | 0.1933 | 0.017 | 2 |
MoO3 (mvc-14941) | 0.6807 | 0.010 | 2 |
V5O12 (mp-777580) | 0.7232 | 0.071 | 2 |
Ta2O5 (mp-10390) | 0.4775 | 0.014 | 2 |
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-7.3816 eV |
Corrected Energy-117.0935 eV
-117.0935 eV = -103.3426 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)