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-2.162 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.133 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. |
Density3.19 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToV2O5 |
Band Gap1.361 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 MauguinPmmn [59] |
HallP 2 2ab 1ab |
Point Groupmmm |
Crystal Systemorthorhombic |
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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Download spectra for every symmetrically equivalent absorption site in the structure.
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substrate material | substrate orientation | film orientation | MCIA† [Å2] |
---|---|---|---|
LiF (mp-1138) | <1 1 0> | <0 0 1> | 116.6 |
LiF (mp-1138) | <1 1 1> | <0 0 1> | 116.6 |
AlN (mp-661) | <0 0 1> | <1 1 0> | 219.9 |
AlN (mp-661) | <1 0 0> | <0 0 1> | 183.2 |
AlN (mp-661) | <1 0 1> | <0 0 1> | 166.5 |
AlN (mp-661) | <1 1 0> | <0 1 0> | 163.8 |
AlN (mp-661) | <1 1 1> | <0 1 0> | 196.6 |
Te2W (mp-22693) | <0 0 1> | <0 1 1> | 183.8 |
Te2W (mp-22693) | <0 1 0> | <0 0 1> | 266.4 |
Te2W (mp-22693) | <1 0 0> | <1 1 0> | 293.3 |
CeO2 (mp-20194) | <1 0 0> | <0 1 0> | 262.1 |
CeO2 (mp-20194) | <1 1 0> | <0 0 1> | 299.7 |
GaAs (mp-2534) | <1 0 0> | <0 0 1> | 33.3 |
GaAs (mp-2534) | <1 1 0> | <0 0 1> | 183.2 |
BaF2 (mp-1029) | <1 0 0> | <0 0 1> | 83.3 |
BaF2 (mp-1029) | <1 1 0> | <0 1 1> | 110.3 |
YVO4 (mp-19133) | <0 0 1> | <0 0 1> | 216.5 |
YVO4 (mp-19133) | <1 0 0> | <0 1 1> | 183.8 |
YVO4 (mp-19133) | <1 1 0> | <0 1 1> | 257.3 |
TePb (mp-19717) | <1 0 0> | <0 0 1> | 83.3 |
TePb (mp-19717) | <1 1 0> | <1 1 0> | 293.3 |
GaN (mp-804) | <0 0 1> | <0 1 0> | 229.4 |
GaN (mp-804) | <1 0 0> | <0 1 0> | 262.1 |
GaN (mp-804) | <1 0 1> | <0 0 1> | 166.5 |
GaN (mp-804) | <1 1 0> | <0 1 0> | 262.1 |
GaN (mp-804) | <1 1 1> | <0 0 1> | 266.4 |
Te2Mo (mp-602) | <0 0 1> | <0 0 1> | 316.4 |
Te2Mo (mp-602) | <1 0 0> | <0 0 1> | 266.4 |
Te2Mo (mp-602) | <1 0 1> | <0 1 0> | 229.4 |
Te2Mo (mp-602) | <1 1 1> | <0 0 1> | 283.1 |
Ag (mp-124) | <1 0 0> | <0 1 1> | 220.5 |
Ag (mp-124) | <1 1 0> | <0 1 1> | 73.5 |
Ag (mp-124) | <1 1 1> | <0 0 1> | 116.6 |
Bi2Te3 (mp-34202) | <0 0 1> | <0 1 1> | 330.8 |
SiO2 (mp-6930) | <0 0 1> | <0 0 1> | 283.1 |
SiO2 (mp-6930) | <1 0 0> | <0 0 1> | 299.7 |
SiO2 (mp-6930) | <1 1 0> | <0 0 1> | 283.1 |
KCl (mp-23193) | <1 0 0> | <0 0 1> | 83.3 |
KCl (mp-23193) | <1 1 0> | <1 1 0> | 293.3 |
GaSe (mp-1943) | <0 0 1> | <0 1 0> | 229.4 |
DyScO3 (mp-31120) | <0 0 1> | <0 0 1> | 216.5 |
DyScO3 (mp-31120) | <0 1 0> | <0 0 1> | 133.2 |
DyScO3 (mp-31120) | <0 1 1> | <0 0 1> | 316.4 |
DyScO3 (mp-31120) | <1 0 0> | <1 0 1> | 135.3 |
DyScO3 (mp-31120) | <1 0 1> | <0 0 1> | 166.5 |
DyScO3 (mp-31120) | <1 1 0> | <0 0 1> | 66.6 |
BN (mp-984) | <0 0 1> | <0 1 1> | 110.3 |
BN (mp-984) | <1 0 0> | <0 0 1> | 99.9 |
BN (mp-984) | <1 0 1> | <0 1 1> | 220.5 |
InAs (mp-20305) | <1 0 0> | <0 0 1> | 149.9 |
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 |
---|---|---|---|
V3(OF3)2 (mp-764432) | 0.7477 | 0.081 | 3 |
V3(OF3)2 (mp-764333) | 0.7273 | 0.173 | 3 |
V2O2F3 (mp-764379) | 0.6414 | 0.071 | 3 |
V2O2F3 (mp-764353) | 0.7487 | 0.091 | 3 |
Al2(WO4)3 (mvc-14989) | 0.7361 | 0.148 | 3 |
LiV(TeO4)3 (mp-766113) | 0.7440 | 0.026 | 4 |
LiNb(TeO4)3 (mp-849223) | 0.7244 | 0.015 | 4 |
AlTe(WO4)2 (mvc-681) | 0.6641 | 0.193 | 4 |
Mn2F5 (mp-766778) | 0.7007 | 0.073 | 2 |
Mn7F18 (mp-765911) | 0.7266 | 0.041 | 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-7.3090 eV |
Corrected Energy-116.0774 eV
-116.0774 eV = -102.3265 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)