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 OrderingAFM |
Formation Energy / Atom-2.526 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.003 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. |
Density4.64 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToV2O3 |
Band Gap0.000 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 ClassificationTI*
|
SubclassificationNLC†
|
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] |
---|---|---|---|
CeO2 (mp-20194) | <1 1 0> | <1 0 0> | 87.1 |
GaAs (mp-2534) | <1 0 0> | <1 0 0> | 232.4 |
GaAs (mp-2534) | <1 1 0> | <0 1 1> | 184.9 |
BaF2 (mp-1029) | <1 1 0> | <0 0 1> | 227.5 |
BaF2 (mp-1029) | <1 1 1> | <0 0 1> | 136.5 |
GaN (mp-804) | <0 0 1> | <1 0 0> | 145.2 |
GaN (mp-804) | <1 0 0> | <1 0 1> | 65.9 |
GaN (mp-804) | <1 1 0> | <1 0 0> | 29.0 |
GaN (mp-804) | <1 1 1> | <1 1 0> | 152.1 |
SiO2 (mp-6930) | <1 0 0> | <1 0 0> | 29.0 |
SiO2 (mp-6930) | <1 1 1> | <1 0 -1> | 153.8 |
KCl (mp-23193) | <1 1 0> | <0 0 1> | 227.5 |
DyScO3 (mp-31120) | <0 0 1> | <1 0 0> | 232.4 |
DyScO3 (mp-31120) | <0 1 0> | <1 0 0> | 319.5 |
DyScO3 (mp-31120) | <1 0 1> | <1 0 0> | 319.5 |
DyScO3 (mp-31120) | <1 1 1> | <1 1 -1> | 283.2 |
InAs (mp-20305) | <1 1 0> | <0 0 1> | 273.0 |
ZnSe (mp-1190) | <1 0 0> | <1 0 0> | 232.4 |
ZnSe (mp-1190) | <1 1 0> | <0 1 1> | 184.9 |
KTaO3 (mp-3614) | <1 0 0> | <0 1 1> | 246.5 |
AlN (mp-661) | <0 0 1> | <1 1 -1> | 169.9 |
AlN (mp-661) | <1 0 0> | <1 0 0> | 145.2 |
AlN (mp-661) | <1 0 1> | <1 0 -1> | 192.3 |
AlN (mp-661) | <1 1 0> | <1 0 -1> | 115.4 |
AlN (mp-661) | <1 1 1> | <1 0 -1> | 307.6 |
CeO2 (mp-20194) | <1 0 0> | <1 1 1> | 233.9 |
CdS (mp-672) | <1 0 0> | <1 0 1> | 263.8 |
CdS (mp-672) | <1 0 1> | <1 0 0> | 261.4 |
CdS (mp-672) | <1 1 0> | <1 0 -1> | 153.8 |
LiF (mp-1138) | <1 0 0> | <1 0 0> | 261.4 |
BaF2 (mp-1029) | <1 0 0> | <0 0 1> | 318.5 |
Te2W (mp-22693) | <0 1 0> | <1 1 1> | 155.9 |
Te2W (mp-22693) | <1 0 1> | <1 0 1> | 197.8 |
Te2W (mp-22693) | <1 1 0> | <1 0 -1> | 115.4 |
YVO4 (mp-19133) | <0 0 1> | <1 0 -1> | 153.8 |
GaN (mp-804) | <1 0 1> | <1 0 0> | 261.4 |
SiO2 (mp-6930) | <0 0 1> | <0 0 1> | 45.5 |
SiO2 (mp-6930) | <1 0 1> | <1 0 0> | 145.2 |
SiO2 (mp-6930) | <1 1 0> | <1 0 0> | 145.2 |
KCl (mp-23193) | <1 0 0> | <0 0 1> | 318.5 |
KCl (mp-23193) | <1 1 1> | <0 0 1> | 136.5 |
TePb (mp-19717) | <1 0 0> | <1 1 0> | 304.3 |
Te2Mo (mp-602) | <1 0 0> | <0 0 1> | 273.0 |
Te2Mo (mp-602) | <1 0 1> | <0 0 1> | 273.0 |
DyScO3 (mp-31120) | <0 1 1> | <1 0 1> | 329.7 |
DyScO3 (mp-31120) | <1 0 0> | <1 0 0> | 319.5 |
Ag (mp-124) | <1 0 0> | <1 0 1> | 263.8 |
InAs (mp-20305) | <1 0 0> | <0 0 1> | 227.5 |
InAs (mp-20305) | <1 1 1> | <0 0 1> | 136.5 |
KTaO3 (mp-3614) | <1 1 0> | <1 0 0> | 116.2 |
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 |
---|---|---|---|
MgFe11O18 (mp-768004) | 0.1541 | 0.084 | 3 |
VCrO3 (mp-770855) | 0.1541 | 0.007 | 3 |
VCrO3 (mp-770778) | 0.1632 | 0.034 | 3 |
VCrO3 (mp-769640) | 0.1664 | 0.032 | 3 |
VCrO3 (mp-770849) | 0.1647 | 0.032 | 3 |
Mg2VWO6 (mvc-5881) | 0.2617 | 0.018 | 4 |
Mg2TiWO6 (mvc-5939) | 0.3042 | 0.128 | 4 |
Mg2CrWO6 (mvc-5960) | 0.3339 | 0.047 | 4 |
InNi2SbO6 (mp-1078367) | 0.2455 | 0.000 | 4 |
ScNi2SbO6 (mp-1078244) | 0.2721 | 0.000 | 4 |
V2O3 (mp-714863) | 0.1835 | 0.000 | 2 |
V2O3 (mp-562005) | 0.1757 | 0.000 | 2 |
Fe2O3 (mp-714977) | 0.1922 | 0.000 | 2 |
V2O3 (mp-18937) | 0.1838 | 0.000 | 2 |
Al2O3 (mp-1143) | 0.1820 | 0.000 | 2 |
Li4Fe2TeWO12 (mp-768021) | 0.5664 | 0.083 | 5 |
Li4Cr2TeWO12 (mp-775566) | 0.6997 | 0.081 | 5 |
Li4MnV2WO12 (mp-773239) | 0.7426 | 0.088 | 5 |
Li4Mn2TeWO12 (mp-768044) | 0.6557 | 0.054 | 5 |
Li4V2CrTeO12 (mp-775632) | 0.7056 | 0.181 | 5 |
Explore more synthesis descriptions for materials of composition V2O3.
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-8.0335 eV |
Corrected Energy-91.2764 eV
-91.2764 eV = -80.3347 eV (uncorrected energy) - 6.7280 eV (MP Advanced Correction) - 4.2137 eV (MP Anion 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)